1-ethyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]indole-2-carboxylic acid

Systemtic Name: 1-ethyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]indole-2-carboxylic acid Openeye Name: 3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 1-ethyl-3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-2-indolecarboxylic acid IUPAC Name: 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 3-[2-(4-benzylpiperidino)-2-keto-ethyl]-1-ethyl-indole-2-carboxylic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3/c1-2-27-22-11-7-6-10-20(22)21(24(27)25(29)30)17-23(28)26-14-12-19(13-15-26)16-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3,(H,29,30)