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

Systemtic Name: 3-phenylpropyl 4-(4-cyanophenyl)-2-(furan-2-yl)-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(4-cyanophenyl)-2-(2-furyl)-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-(2-furanyl)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-cyanophenyl)-2-(furan-2-yl)-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-(2-furyl)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C33H36N4O4 MolecularWeight: 552.66334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOCC2=C(C(N=C(N2)C3=CC=CO3)C4=CC=C(C=C4)C#N)C(=O)OCCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCOCC2=C(C(N=C(N2)C3=CC=CO3)C4=CC=C(C=C4)C#N)C(=O)OCCCC5=CC=CC=C5

InChI

InChI=1S/C33H36N4O4/c34-23-26-13-15-27(16-14-26)31-30(33(38)41-21-7-11-25-9-3-1-4-10-25)28(35-32(36-31)29-12-8-20-40-29)24-39-22-19-37-17-5-2-6-18-37/h1,3-4,8-10,12-16,20,31H,2,5-7,11,17-19,21-22,24H2,(H,35,36)