4-[2-(6-cyano-1-ethyl-indol-2-yl)ethyl]-2-(2-oxidanylideneethyl)-3-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 4-[2-(6-cyano-1-ethyl-indol-2-yl)ethyl]-2-(2-oxidanylideneethyl)-3-pyrrolidin-1-yl-benzoic acid Openeye Name: 4-[2-(6-cyano-1-ethyl-indol-2-yl)ethyl]-2-(2-oxoethyl)-3-pyrrolidin-1-yl-benzoic acid CAS Name: 4-[2-(6-cyano-1-ethyl-2-indolyl)ethyl]-2-(2-oxoethyl)-3-(1-pyrrolidinyl)benzoic acid IUPAC Name: 4-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-2-(2-oxoethyl)-3-pyrrolidin-1-ylbenzoic acid Traditional Name: 4-[2-(6-cyano-1-ethyl-indol-2-yl)ethyl]-2-(2-ketoethyl)-3-pyrrolidino-benzoic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C#N)CCC3=C(C(=C(C=C3)C(=O)O)CC=O)N4CCCC4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C#N)CCC3=C(C(=C(C=C3)C(=O)O)CC=O)N4CCCC4

InChI

InChI=1S/C26H27N3O3/c1-2-29-21(16-20-6-5-18(17-27)15-24(20)29)9-7-19-8-10-23(26(31)32)22(11-14-30)25(19)28-12-3-4-13-28/h5-6,8,10,14-16H,2-4,7,9,11-13H2,1H3,(H,31,32)