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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)NCCCN2C=CN=C2)(C(=O)O)OC3=CC=CC(=C3)OCC4=CSC=C4

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)NCCCN2C=CN=C2)(C(=O)O)OC3=CC=CC(=C3)OCC4=CSC=C4

InChI

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