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

Systemtic Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-ethylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-ethylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-2-(ethylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-ethylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-2-(ethylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C30H37Cl2N3O3S MolecularWeight: 590.60408

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C30H37Cl2N3O3S/c1-2-39-30-33-26(21-37-19-17-35-15-7-4-8-16-35)27(28(34-30)23-13-14-24(31)25(32)20-23)29(36)38-18-9-12-22-10-5-3-6-11-22/h3,5-6,10-11,13-14,20,28H,2,4,7-9,12,15-19,21H2,1H3,(H,33,34)