3-phenylpropyl 4-(4-methylphenyl)-6-(2-piperidin-1-ylethoxymethyl)-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl 4-(4-methylphenyl)-6-(2-piperidin-1-ylethoxymethyl)-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 6-[2-(1-piperidyl)ethoxymethyl]-4-(p-tolyl)-2-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methylphenyl)-6-[2-(1-piperidinyl)ethoxymethyl]-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-methylphenyl)-6-(2-piperidin-1-ylethoxymethyl)-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-piperidinoethoxymethyl)-4-(p-tolyl)-2-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C33H39N3O3S MolecularWeight: 557.74606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=N2)C3=CC=CS3)COCCN4CCCCC4)C(=O)OCCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC(=N2)C3=CC=CS3)COCCN4CCCCC4)C(=O)OCCCC5=CC=CC=C5

InChI

InChI=1S/C33H39N3O3S/c1-25-14-16-27(17-15-25)31-30(33(37)39-21-8-12-26-10-4-2-5-11-26)28(34-32(35-31)29-13-9-23-40-29)24-38-22-20-36-18-6-3-7-19-36/h2,4-5,9-11,13-17,23,31H,3,6-8,12,18-22,24H2,1H3,(H,34,35)