Name: Name:Benzoic acid, 4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]-, methyl ester
Brand: Angene
SKU: AG000L7L
Rating: 90 (10 reviews)

Benzoic acid, 4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]-, methyl ester

CAS No.:

1239034-70-8

Catalog Number:

AG000L7L

Molecular Formula:

C21H22N2O2

Molecular Weight:

334.4116

Catalog Number:

AG000L7L

Chemical Name:

Benzoic acid, 4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]-, methyl ester

CAS Number:

1239034-70-8

Molecular Formula:

C21H22N2O2

Molecular Weight:

334.4116

MDL Number:

MFCD30730044

IUPAC Name:

methyl 4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzoate

InChI:

InChI=1S/C21H22N2O2/c1-22-12-11-20-18(14-22)17-5-3-4-6-19(17)23(20)13-15-7-9-16(10-8-15)21(24)25-2/h3-10H,11-14H2,1-2H3

InChI Key:

RMAYYLGDIMEEOS-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C

Complexity:

475

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.419g/mol

Monoisotopic Mass:

334.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4