2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloranyl-4-phenyl-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloranyl-4-phenyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloro-4-phenyl-4H-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloro-4-phenyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloro-4-phenyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-6-chloro-4-phenyl-4H-pyrimidine-5-carboxylic acid Formula: C29H27ClN2O4 MolecularWeight: 502.98868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4)C(=O)O)Cl

InChI

InChI=1S/C29H27ClN2O4/c1-2-3-13-24-31-27(30)25(29(35)36)26(21-9-5-4-6-10-21)32(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)28(33)34/h4-12,14-17,26H,2-3,13,18H2,1H3,(H,33,34)(H,35,36)