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

Systemtic Name: methyl 2-(4-acetamidophenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(4-acetamidobenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(4-acetamidophenyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-acetamidobenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(4-acetamidobenzoyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC

InChI

InChI=1S/C22H21N3O4/c1-13(26)23-16-6-3-14(4-7-16)21(27)25-10-9-20-18(12-25)17-11-15(22(28)29-2)5-8-19(17)24-20/h3-8,11,24H,9-10,12H2,1-2H3,(H,23,26)