2-[4-cyclopentyloxy-3-[[4-(phenylcarbamoyl)piperazin-1-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-cyclopentyloxy-3-[[4-(phenylcarbamoyl)piperazin-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-(cyclopentoxy)-3-[[4-(phenylcarbamoyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[4-[anilino(oxo)methyl]-1-piperazinyl]methyl]-4-cyclopentyloxyphenyl]acetic acid IUPAC Name: 2-[4-cyclopentyloxy-3-[[4-(phenylcarbamoyl)piperazin-1-yl]methyl]phenyl]acetic acid Traditional Name: 2-[4-(cyclopentoxy)-3-[[4-(phenylcarbamoyl)piperazino]methyl]phenyl]acetic acid Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C(C=C2)CC(=O)O)CN3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)CC(=O)O)CN3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4/c29-24(30)17-19-10-11-23(32-22-8-4-5-9-22)20(16-19)18-27-12-14-28(15-13-27)25(31)26-21-6-2-1-3-7-21/h1-3,6-7,10-11,16,22H,4-5,8-9,12-15,17-18H2,(H,26,31)(H,29,30)