ethyl 2-(acetyloxymethyl)-4-[(3-chlorophenyl)-prop-2-enyl-carbamoyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-(acetyloxymethyl)-4-[(3-chlorophenyl)-prop-2-enyl-carbamoyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(acetoxymethyl)-4-[allyl-(3-chlorophenyl)carbamoyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(acetyloxymethyl)-4-[(3-chloro-N-prop-2-enylanilino)-oxomethyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetyloxymethyl)-4-[(3-chlorophenyl)-prop-2-enylcarbamoyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(acetoxymethyl)-4-[allyl-(3-chlorophenyl)carbamoyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=CC1C(=O)N(CC=C)C2=CC(=CC=C2)Cl)COC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC=CC1C(=O)N(CC=C)C2=CC(=CC=C2)Cl)COC(=O)C

InChI

InChI=1S/C21H23ClN2O5/c1-4-11-24(16-8-6-7-15(22)12-16)20(26)17-9-10-23-18(13-29-14(3)25)19(17)21(27)28-5-2/h4,6-10,12,17,23H,1,5,11,13H2,2-3H3