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

Systemtic Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-(2-piperidin-1-ylethoxymethyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-[2-(1-piperidyl)ethoxymethyl]-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-6-[2-(1-piperidinyl)ethoxymethyl]-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-(2-piperidin-1-ylethoxymethyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-6-(2-piperidinoethoxymethyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C33H36Cl2N4O3 MolecularWeight: 607.56994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOCC2=C(C(N=C(N2)C3=CC=CC=N3)C4=CC(=C(C=C4)Cl)Cl)C(=O)OCCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCOCC2=C(C(N=C(N2)C3=CC=CC=N3)C4=CC(=C(C=C4)Cl)Cl)C(=O)OCCCC5=CC=CC=C5

InChI

InChI=1S/C33H36Cl2N4O3/c34-26-15-14-25(22-27(26)35)31-30(33(40)42-20-9-12-24-10-3-1-4-11-24)29(23-41-21-19-39-17-7-2-8-18-39)37-32(38-31)28-13-5-6-16-36-28/h1,3-6,10-11,13-16,22,31H,2,7-9,12,17-21,23H2,(H,37,38)