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

Systemtic Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-ethoxyphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-4-m-phenetyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(C(=O)NC(=N2)N3CCC4=CC=CC=C4C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2C(C(=O)NC(=N2)N3CCC4=CC=CC=C4C3)C(=O)OCC

InChI

InChI=1S/C24H27N3O4/c1-3-30-19-11-7-10-17(14-19)21-20(23(29)31-4-2)22(28)26-24(25-21)27-13-12-16-8-5-6-9-18(16)15-27/h5-11,14,20-21H,3-4,12-13,15H2,1-2H3,(H,25,26,28)