ethyl 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-4-(4-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-4-(4-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-isopropoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-4-(4-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-4-(4-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-isopropoxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC(C)C)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC(C)C)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H31N3O4/c1-4-32-25(30)23-22(16-29-14-13-18-7-5-6-8-20(18)15-29)27-26(31)28-24(23)19-9-11-21(12-10-19)33-17(2)3/h5-12,17,24H,4,13-16H2,1-3H3,(H2,27,28,31)