3-ethoxy-3-phenyl-2-(4-phenylpiperazin-1-yl)-2-pyrrol-1-yl-propanoic acid

Systemtic Name: 3-ethoxy-3-phenyl-2-(4-phenylpiperazin-1-yl)-2-pyrrol-1-yl-propanoic acid Openeye Name: 3-ethoxy-3-phenyl-2-(4-phenylpiperazin-1-yl)-2-pyrrol-1-yl-propanoic acid CAS Name: 3-ethoxy-3-phenyl-2-(4-phenyl-1-piperazinyl)-2-(1-pyrrolyl)propanoic acid IUPAC Name: 3-ethoxy-3-phenyl-2-(4-phenylpiperazin-1-yl)-2-pyrrol-1-ylpropanoic acid Traditional Name: 3-ethoxy-3-phenyl-2-(4-phenylpiperazino)-2-pyrrol-1-yl-propionic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(C(=O)O)(N2CCN(CC2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC(C1=CC=CC=C1)C(C(=O)O)(N2CCN(CC2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-2-31-23(21-11-5-3-6-12-21)25(24(29)30,27-15-9-10-16-27)28-19-17-26(18-20-28)22-13-7-4-8-14-22/h3-16,23H,2,17-20H2,1H3,(H,29,30)