[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic 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] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-4-12-25-15(2)13-19(16(25)3)20(26)14-29-21(27)6-5-11-24-22(28)17-7-9-18(23)10-8-17/h4,7-10,13H,1,5-6,11-12,14H2,2-3H3,(H,24,28)