methyl (4S)-6-(2,3-dihydroindol-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-6-(2,3-dihydroindol-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-6-(indolin-1-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(2,3-dihydroindol-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(2,3-dihydroindol-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3,4-dimethoxyphenyl)-6-(indolin-1-ylmethyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)CN3CCC4=CC=CC=C43)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2C(=C(NC(=O)N2)CN3CCC4=CC=CC=C43)C(=O)OC)OC

InChI

InChI=1S/C23H25N3O5/c1-29-18-9-8-15(12-19(18)30-2)21-20(22(27)31-3)16(24-23(28)25-21)13-26-11-10-14-6-4-5-7-17(14)26/h4-9,12,21H,10-11,13H2,1-3H3,(H2,24,25,28)/t21-/m0/s1