[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H22ClNO3 MolecularWeight: 395.87868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)COC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)COC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H22ClNO3/c1-16-14-21(17(2)25(16)20-11-9-19(24)10-12-20)22(26)15-28-23(27)13-8-18-6-4-3-5-7-18/h3-7,9-12,14H,8,13,15H2,1-2H3