[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic 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-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C28H25ClN2O3 MolecularWeight: 472.9627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C28H25ClN2O3/c1-5-13-31-17(2)14-23(19(31)4)25(32)16-34-28(33)26-18(3)27(20-9-8-10-21(29)15-20)30-24-12-7-6-11-22(24)26/h5-12,14-15H,1,13,16H2,2-4H3