methyl 2-(4-benzamidophenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(4-benzamidophenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(4-benzamidobenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(4-benzamidophenyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzamidobenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(4-benzamidobenzoyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c1-34-27(33)19-9-12-23-21(15-19)22-16-30(14-13-24(22)29-23)26(32)18-7-10-20(11-8-18)28-25(31)17-5-3-2-4-6-17/h2-12,15,29H,13-14,16H2,1H3,(H,28,31)