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

Systemtic Name: 3-phenylpropyl 2-(furan-2-yl)-4-(4-methoxy-3-nitro-phenyl)-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 2-(2-furyl)-4-(4-methoxy-3-nitro-phenyl)-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-(4-methoxy-3-nitrophenyl)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(furan-2-yl)-4-(4-methoxy-3-nitrophenyl)-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-(4-methoxy-3-nitro-phenyl)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C33H38N4O7 MolecularWeight: 602.67742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(NC(=N2)C3=CC=CO3)COCCN4CCCCC4)C(=O)OCCCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(NC(=N2)C3=CC=CO3)COCCN4CCCCC4)C(=O)OCCCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H38N4O7/c1-41-28-15-14-25(22-27(28)37(39)40)31-30(33(38)44-20-8-12-24-10-4-2-5-11-24)26(34-32(35-31)29-13-9-19-43-29)23-42-21-18-36-16-6-3-7-17-36/h2,4-5,9-11,13-15,19,22,31H,3,6-8,12,16-18,20-21,23H2,1H3,(H,34,35)