2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1H-indol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]acetic acid Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H32N4O4/c32-25(30-10-4-5-11-30)18-29-12-14-31(15-13-29)26(27(33)34)23-17-28-24-16-21(8-9-22(23)24)35-19-20-6-2-1-3-7-20/h1-3,6-9,16-17,26,28H,4-5,10-15,18-19H2,(H,33,34)