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

Systemtic Name: 3-phenylpropyl 4-(4-methoxycarbonylphenyl)-6-(2-piperidin-1-ylethoxymethyl)-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(4-methoxycarbonylphenyl)-6-[2-(1-piperidyl)ethoxymethyl]-2-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methoxycarbonylphenyl)-6-[2-(1-piperidinyl)ethoxymethyl]-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-methoxycarbonylphenyl)-6-(2-piperidin-1-ylethoxymethyl)-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-6-(2-piperidinoethoxymethyl)-2-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C34H39N3O5S MolecularWeight: 601.75556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H39N3O5S/c1-40-33(38)27-16-14-26(15-17-27)31-30(34(39)42-21-8-12-25-10-4-2-5-11-25)28(35-32(36-31)29-13-9-23-43-29)24-41-22-20-37-18-6-3-7-19-37/h2,4-5,9-11,13-17,23,31H,3,6-8,12,18-22,24H2,1H3,(H,35,36)