2-[3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]carbonyl-4-phenyl-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]carbonyl-4-phenyl-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-4-phenyl-pyrrol-1-yl]acetic acid CAS Name: 2-[3-[[4-(3,5-dimethoxyphenyl)-1-piperazinyl]-oxomethyl]-4-phenyl-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-4-phenylpyrrol-1-yl]acetic acid Traditional Name: 2-[3-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-4-phenyl-pyrrol-1-yl]acetic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)C3=CN(C=C3C4=CC=CC=C4)CC(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)C3=CN(C=C3C4=CC=CC=C4)CC(=O)O)OC

InChI

InChI=1S/C25H27N3O5/c1-32-20-12-19(13-21(14-20)33-2)27-8-10-28(11-9-27)25(31)23-16-26(17-24(29)30)15-22(23)18-6-4-3-5-7-18/h3-7,12-16H,8-11,17H2,1-2H3,(H,29,30)