1-[1-(5-methyl-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(5-methyl-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-hydroxy-1-(5-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-1-(5-methyl-1H-indol-3-yl)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-1-(5-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-hydroxy-2-keto-1-(5-methyl-1H-indol-3-yl)ethyl]isonipecotic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-10-2-3-14-12(8-10)13(9-18-14)15(17(22)23)19-6-4-11(5-7-19)16(20)21/h2-3,8-9,11,15,18H,4-7H2,1H3,(H,20,21)(H,22,23)