(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl (3S)-2-(2-chlorophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl (3S)-2-(2-chlorophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl (3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(2-chlorophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl (3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C25H24ClN3O6 MolecularWeight: 497.92756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H24ClN3O6/c1-2-34-23(31)18-12-27-25(33)28-20(18)14-35-24(32)21-11-15-7-3-4-8-16(15)13-29(21)22(30)17-9-5-6-10-19(17)26/h3-10,21H,2,11-14H2,1H3,(H2,27,28,33)/t21-/m0/s1