2-[2-(3-imidazol-1-ylpropylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid

Systemtic Name: 2-[2-(3-imidazol-1-ylpropylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Openeye Name: 2-[2-(3-imidazol-1-ylpropylcarbamoyl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 2-[2-[[3-(1-imidazolyl)propylamino]-oxomethyl]-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 2-[2-(3-imidazol-1-ylpropylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Traditional Name: 2-[2-(3-imidazol-1-ylpropylcarbamoyl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C29H31N3O5S/c1-21-5-2-3-6-23(21)7-10-26(29(34)35)37-27-17-24(36-18-22-11-16-38-19-22)8-9-25(27)28(33)31-12-4-14-32-15-13-30-20-32/h2-3,5-6,8-9,11,13,15-17,19-20,26H,4,7,10,12,14,18H2,1H3,(H,31,33)(H,34,35)