[3-(thiophen-3-ylmethoxy)phenyl] 2-(3-imidazol-1-ylpropylcarbamoyl)-4-(2-methylphenyl)butaneperoxoate

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-(3-imidazol-1-ylpropylcarbamoyl)-4-(2-methylphenyl)butaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-(3-imidazol-1-ylpropylcarbamoyl)-4-(o-tolyl)butaneperoxoate CAS Name: 2-[[3-(1-imidazolyl)propylamino]-oxomethyl]-4-(2-methylphenyl)butaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-(3-imidazol-1-ylpropylcarbamoyl)-4-(2-methylphenyl)butaneperoxoate Traditional Name: 2-(3-imidazol-1-ylpropylcarbamoyl)-4-(o-tolyl)peroxybutyric acid [3-(3-thenyloxy)phenyl] ester 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)OOC3=CC=CC(=C3)OCC4=CSC=C4

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)NCCCN2C=CN=C2)C(=O)OOC3=CC=CC(=C3)OCC4=CSC=C4

InChI

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