4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid Formula: C26H29ClN2O3 MolecularWeight: 452.97306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOCC2=C(C(N=C(N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCOCC2=C(C(N=C(N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C26H29ClN2O3/c27-21-13-7-12-20(16-21)24-23(26(30)31)22(17-32-15-14-18-8-3-1-4-9-18)28-25(29-24)19-10-5-2-6-11-19/h2,5-7,10-13,16,18,24H,1,3-4,8-9,14-15,17H2,(H,28,29)(H,30,31)