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

Systemtic Name: (3S)-9-methyl-2-propanoyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: (3S)-9-methyl-2-propanoyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: (3S)-9-methyl-2-(1-oxopropyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: (3S)-9-methyl-2-propanoyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: (3S)-9-methyl-2-propionyl-3,4-dihydro-1H-$b-carboline-3-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-3-15(19)18-9-14-11(8-13(18)16(20)21)10-6-4-5-7-12(10)17(14)2/h4-7,13H,3,8-9H2,1-2H3,(H,20,21)/t13-/m0/s1