[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C23H27ClN2O4/c1-6-11-26-15(4)12-18(16(26)5)20(27)13-30-23(29)21(14(2)3)25-22(28)17-9-7-8-10-19(17)24/h6-10,12,14,21H,1,11,13H2,2-5H3,(H,25,28)