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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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