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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC2=C(CC1C(=O)[O-])C3=CC=CC=C3N2C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-3-4-9-17(21)20-11-16-13(10-15(20)18(22)23)12-7-5-6-8-14(12)19(16)2/h5-8,15H,3-4,9-11H2,1-2H3,(H,22,23)/p-1/t15-/m0/s1