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

Systemtic Name: (1S)-9-methyl-2-(3-methylbutanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-1-carboxylate Openeye Name: (1S)-9-methyl-2-(3-methylbutanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-1-carboxylate CAS Name: (1S)-9-methyl-2-(3-methyl-1-oxobutyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-1-carboxylate IUPAC Name: (1S)-9-methyl-2-(3-methylbutanoyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-1-carboxylate Traditional Name: (1S)-2-isovaleryl-9-methyl-3,4-dihydro-1H-$b-carboline-1-carboxylate Formula: C18H21N2O3- MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2=C(C1C(=O)[O-])N(C3=CC=CC=C23)C

Isomeric SMILES

CC(C)CC(=O)N1CCC2=C([C@H]1C(=O)[O-])N(C3=CC=CC=C23)C

InChI

InChI=1S/C18H22N2O3/c1-11(2)10-15(21)20-9-8-13-12-6-4-5-7-14(12)19(3)16(13)17(20)18(22)23/h4-7,11,17H,8-10H2,1-3H3,(H,22,23)/p-1/t17-/m0/s1