(3S)-9-methyl-2-(3-methylbutanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: (3S)-9-methyl-2-(3-methylbutanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: (3S)-9-methyl-2-(3-methylbutanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: (3S)-9-methyl-2-(3-methyl-1-oxobutyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: (3S)-9-methyl-2-(3-methylbutanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: (3S)-2-isovaleryl-9-methyl-3,4-dihydro-1H-$b-carboline-3-carboxylic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2C

Isomeric SMILES

CC(C)CC(=O)N1CC2=C(C[C@H]1C(=O)O)C3=CC=CC=C3N2C

InChI

InChI=1S/C18H22N2O3/c1-11(2)8-17(21)20-10-16-13(9-15(20)18(22)23)12-6-4-5-7-14(12)19(16)3/h4-7,11,15H,8-10H2,1-3H3,(H,22,23)/t15-/m0/s1