ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-4-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-4-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-4-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-4-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-4-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-4-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4/c1-2-34-27(33)24-25(20-11-8-14-23(17-20)35-22-12-4-3-5-13-22)29-28(30-26(24)32)31-16-15-19-9-6-7-10-21(19)18-31/h3-14,17,24-25H,2,15-16,18H2,1H3,(H,29,30,32)