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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2=C(C1C(=O)O)NC3=CC=CC=C23

Isomeric SMILES

CCCC(=O)N1CCC2=C([C@H]1C(=O)O)NC3=CC=CC=C23

InChI

InChI=1S/C16H18N2O3/c1-2-5-13(19)18-9-8-11-10-6-3-4-7-12(10)17-14(11)15(18)16(20)21/h3-4,6-7,15,17H,2,5,8-9H2,1H3,(H,20,21)/t15-/m0/s1