ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-[[(E)-3-quinolin-2-ylprop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-[[(E)-3-quinolin-2-ylprop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[(E)-3-(2-quinolyl)prop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-oxo-6-[[(E)-1-oxo-3-(2-quinolinyl)prop-2-enoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[(E)-3-quinolin-2-ylprop-2-enoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-[[(E)-3-(2-quinolyl)acryloyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H25N3O6/c1-3-35-26(32)24-22(29-27(33)30-25(24)18-9-13-20(34-2)14-10-18)16-36-23(31)15-12-19-11-8-17-6-4-5-7-21(17)28-19/h4-15,25H,3,16H2,1-2H3,(H2,29,30,33)/b15-12+