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

Systemtic Name: (1S)-2-pentanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid Openeye Name: (1S)-2-pentanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid CAS Name: (1S)-2-(1-oxopentyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid IUPAC Name: (1S)-2-pentanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid Traditional Name: (1S)-2-valeryl-1,3,4,9-tetrahydro-$b-carboline-1-carboxylic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c1-2-3-8-14(20)19-10-9-12-11-6-4-5-7-13(11)18-15(12)16(19)17(21)22/h4-7,16,18H,2-3,8-10H2,1H3,(H,21,22)/t16-/m0/s1