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

Systemtic Name: (3S)-9-methyl-2-(2-methylpropanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: (3S)-9-methyl-2-(2-methylpropanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: (3S)-9-methyl-2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: (3S)-9-methyl-2-(2-methylpropanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: (3S)-2-isobutyryl-9-methyl-3,4-dihydro-1H-$b-carboline-3-carboxylic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c1-10(2)16(20)19-9-15-12(8-14(19)17(21)22)11-6-4-5-7-13(11)18(15)3/h4-7,10,14H,8-9H2,1-3H3,(H,21,22)/t14-/m0/s1