methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-6-[(phenethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-6-[(phenethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-[(phenethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-[(phenethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-[(phenethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3,4-dimethoxyphenyl)-2-keto-6-[(phenethylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)CNCCC3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2C(=C(NC(=O)N2)CNCCC3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C23H27N3O5/c1-29-18-10-9-16(13-19(18)30-2)21-20(22(27)31-3)17(25-23(28)26-21)14-24-12-11-15-7-5-4-6-8-15/h4-10,13,21,24H,11-12,14H2,1-3H3,(H2,25,26,28)/t21-/m0/s1