4-(3,4-dichlorophenyl)-2-methylsulfanyl-2-phenethyl-6-(2-piperidin-1-ylethoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3,4-dichlorophenyl)-2-methylsulfanyl-2-phenethyl-6-(2-piperidin-1-ylethoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(3,4-dichlorophenyl)-2-methylsulfanyl-2-phenethyl-6-[2-(1-piperidyl)ethoxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-2-phenethyl-6-[2-(1-piperidinyl)ethoxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(3,4-dichlorophenyl)-2-methylsulfanyl-2-phenethyl-6-(2-piperidin-1-ylethoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-2-phenethyl-6-(2-piperidinoethoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C28H35Cl2N3O3S MolecularWeight: 564.5668

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(NC(C(=C(N1)COCCN2CCCCC2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CSC1(NC(C(=C(N1)COCCN2CCCCC2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C28H35Cl2N3O3S/c1-37-28(13-12-20-8-4-2-5-9-20)31-24(19-36-17-16-33-14-6-3-7-15-33)25(27(34)35)26(32-28)21-10-11-22(29)23(30)18-21/h2,4-5,8-11,18,26,31-32H,3,6-7,12-17,19H2,1H3,(H,34,35)