2-[4-[(2-butyl-6-chloranyl-5-ethoxycarbonyl-4-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-6-chloranyl-5-ethoxycarbonyl-4-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-6-chloro-5-ethoxycarbonyl-4-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-6-chloro-5-ethoxycarbonyl-4-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-6-chloro-5-ethoxycarbonyl-4-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbethoxy-6-chloro-4-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid Formula: C31H31ClN2O4 MolecularWeight: 531.04184

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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)OCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C31H31ClN2O4/c1-3-5-15-26-33-29(32)27(31(37)38-4-2)28(23-11-7-6-8-12-23)34(26)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)30(35)36/h6-14,16-19,28H,3-5,15,20H2,1-2H3,(H,35,36)