2-[4-[(2-butyl-6-chloranyl-5-ethoxycarbonyl-4,4-dimethyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-6-chloranyl-5-ethoxycarbonyl-4,4-dimethyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-6-chloro-5-ethoxycarbonyl-4,4-dimethyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-6-chloro-5-ethoxycarbonyl-4,4-dimethyl-1-pyrimidinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-6-chloro-5-ethoxycarbonyl-4,4-dimethylpyrimidin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbethoxy-6-chloro-4,4-dimethyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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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)Cl)C(=O)OCC)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN2O4/c1-5-7-12-22-29-27(3,4)23(26(33)34-6-2)24(28)30(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25(31)32/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,31,32)