2-[2-[4-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-(2-keto-2-pyrrolidino-ethyl)indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C4CCN(CC4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C4CCN(CC4)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C28H33N3O4/c32-27(30-13-5-6-14-30)20-31-19-24(22-7-1-3-9-25(22)31)21-11-15-29(16-12-21)17-18-35-26-10-4-2-8-23(26)28(33)34/h1-4,7-10,19,21H,5-6,11-18,20H2,(H,33,34)