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

Systemtic Name: methyl 2-(4-methyl-2-oxidanyl-phenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(2-hydroxy-4-methyl-benzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(2-hydroxy-4-methylphenyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-hydroxy-4-methylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(2-hydroxy-4-methyl-benzoyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-12-3-5-14(19(24)9-12)20(25)23-8-7-18-16(11-23)15-10-13(21(26)27-2)4-6-17(15)22-18/h3-6,9-10,22,24H,7-8,11H2,1-2H3