Name: Name:ethyl 4-benzyl-3,5-dioxo-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-ene-9-carboxylate
Brand: Angene
SKU: AG01BA2H
Rating: 90 (10 reviews)

ethyl 4-benzyl-3,5-dioxo-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-ene-9-carboxylate

CAS No.:

1803601-47-9

Catalog Number:

AG01BA2H

Molecular Formula:

C21H21NO4

Molecular Weight:

351.3957

Catalog Number:

AG01BA2H

Chemical Name:

ethyl 4-benzyl-3,5-dioxo-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-ene-9-carboxylate

CAS Number:

1803601-47-9

Molecular Formula:

C21H21NO4

Molecular Weight:

351.3957

MDL Number:

MFCD28397484

IUPAC Name:

ethyl 4-benzyl-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-9-carboxylate

InChI:

InChI=1S/C21H21NO4/c1-2-26-21(25)18-14-12-8-9-13(15(14)18)17-16(12)19(23)22(20(17)24)10-11-6-4-3-5-7-11/h3-9,12-18H,2,10H2,1H3

InChI Key:

CRXCVBKATZWTAR-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1C2C1C1C=CC2C2C1C(=O)N(C2=O)Cc1ccccc1

Complexity:

642

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

351.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

351.402g/mol

Monoisotopic Mass:

351.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7