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

Systemtic Name: ethyl 4-[2-(3-imidazol-1-ylpropylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: ethyl 4-[2-(3-imidazol-1-ylpropylcarbamoyl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-[[3-(1-imidazolyl)propylamino]-oxomethyl]-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-imidazol-1-ylpropylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-(3-imidazol-1-ylpropylcarbamoyl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid ethyl ester Formula: C31H35N3O5S MolecularWeight: 561.6917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C31H35N3O5S/c1-3-37-30(35)12-11-28(26-8-5-4-7-23(26)2)39-29-19-25(38-20-24-13-18-40-21-24)9-10-27(29)31(36)33-14-6-16-34-17-15-32-22-34/h4-5,7-10,13,15,17-19,21-22,28H,3,6,11-12,14,16,20H2,1-2H3,(H,33,36)