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

Systemtic Name: 4-[3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]carbonyl-4-phenyl-pyrrol-1-yl]butanoic acid Openeye Name: 4-[3-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-4-phenyl-pyrrol-1-yl]butanoic acid CAS Name: 4-[3-[[4-(3,5-dimethoxyphenyl)-1-piperazinyl]-oxomethyl]-4-phenyl-1-pyrrolyl]butanoic acid IUPAC Name: 4-[3-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-4-phenylpyrrol-1-yl]butanoic acid Traditional Name: 4-[3-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-4-phenyl-pyrrol-1-yl]butyric acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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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)CCCC(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O5/c1-34-22-15-21(16-23(17-22)35-2)29-11-13-30(14-12-29)27(33)25-19-28(10-6-9-26(31)32)18-24(25)20-7-4-3-5-8-20/h3-5,7-8,15-19H,6,9-14H2,1-2H3,(H,31,32)