(3S)-2-butanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: (3S)-2-butanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: (3S)-2-butanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: (3S)-2-(1-oxobutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: (3S)-2-butanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: (3S)-2-butyryl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2

Isomeric SMILES

CCCC(=O)N1CC2=C(C[C@H]1C(=O)O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H18N2O3/c1-2-5-15(19)18-9-13-11(8-14(18)16(20)21)10-6-3-4-7-12(10)17-13/h3-4,6-7,14,17H,2,5,8-9H2,1H3,(H,20,21)/t14-/m0/s1