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

Systemtic Name: methyl 2-(4-methylphenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(4-methylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(4-methylphenyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-p-toluoyl-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H20N2O3/c1-13-3-5-14(6-4-13)20(24)23-10-9-19-17(12-23)16-11-15(21(25)26-2)7-8-18(16)22-19/h3-8,11,22H,9-10,12H2,1-2H3