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

Systemtic Name: 3-phenylpropyl 4-(4-methyl-3-nitro-phenyl)-6-(2-piperidin-1-ylethoxymethyl)-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(4-methyl-3-nitro-phenyl)-6-[2-(1-piperidyl)ethoxymethyl]-2-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methyl-3-nitrophenyl)-6-[2-(1-piperidinyl)ethoxymethyl]-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-methyl-3-nitrophenyl)-6-(2-piperidin-1-ylethoxymethyl)-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-methyl-3-nitro-phenyl)-6-(2-piperidinoethoxymethyl)-2-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C33H38N4O5S MolecularWeight: 602.74362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C(=C(NC(=N2)C3=CC=CS3)COCCN4CCCCC4)C(=O)OCCCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2C(=C(NC(=N2)C3=CC=CS3)COCCN4CCCCC4)C(=O)OCCCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H38N4O5S/c1-24-14-15-26(22-28(24)37(39)40)31-30(33(38)42-19-8-12-25-10-4-2-5-11-25)27(34-32(35-31)29-13-9-21-43-29)23-41-20-18-36-16-6-3-7-17-36/h2,4-5,9-11,13-15,21-22,31H,3,6-8,12,16-20,23H2,1H3,(H,34,35)