[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]methyl 4-(3-methylphenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]methyl 4-(3-methylphenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [4-[3-(1-piperidyl)propylcarbamoyl]phenyl]methyl 4-(m-tolyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [4-[oxo-[3-(1-piperidinyl)propylamino]methyl]phenyl]methyl ester IUPAC Name: [4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]methyl 4-(3-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(m-tolyl)-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [4-(3-piperidinopropylcarbamoyl)benzyl] ester Formula: C31H40N4O4 MolecularWeight: 532.6737

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1)C2=CC(=CC=C2)C)C(=O)OCC3=CC=C(C=C3)C(=O)NCCCN4CCCCC4

Isomeric SMILES

CCCC1=C(C(NC(=O)N1)C2=CC(=CC=C2)C)C(=O)OCC3=CC=C(C=C3)C(=O)NCCCN4CCCCC4

InChI

InChI=1S/C31H40N4O4/c1-3-9-26-27(28(34-31(38)33-26)25-11-7-10-22(2)20-25)30(37)39-21-23-12-14-24(15-13-23)29(36)32-16-8-19-35-17-5-4-6-18-35/h7,10-15,20,28H,3-6,8-9,16-19,21H2,1-2H3,(H,32,36)(H2,33,34,38)