2-[2-butyl-4-chloranyl-3-ethyl-6-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-4H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-butyl-4-chloranyl-3-ethyl-6-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-4H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-butyl-4-chloro-3-ethyl-6-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-4H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-butyl-4-chloro-3-ethyl-6-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-4H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-butyl-4-chloro-3-ethyl-6-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-4H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-butyl-6-[4-(2-carbomethoxyphenyl)benzyl]-4-chloro-3-ethyl-4H-pyrimidin-5-yl]acetic acid Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(N1CC)Cl)CC(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=NC(=C(C(N1CC)Cl)CC(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C27H31ClN2O4/c1-4-6-11-24-29-23(22(17-25(31)32)26(28)30(24)5-2)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)27(33)34-3/h7-10,12-15,26H,4-6,11,16-17H2,1-3H3,(H,31,32)