2-[4-[(3-butyl-4-chloranyl-5-methoxycarbonyl-2H-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butyl-4-chloranyl-5-methoxycarbonyl-2H-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-4-chloro-5-methoxycarbonyl-2H-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-4-chloro-5-methoxycarbonyl-2H-imidazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-4-chloro-5-methoxycarbonyl-2H-imidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-5-carbomethoxy-4-chloro-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CN(C(=C1Cl)C(=O)OC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCN1CN(C(=C1Cl)C(=O)OC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H25ClN2O4/c1-3-4-13-25-15-26(20(21(25)24)23(29)30-2)14-16-9-11-17(12-10-16)18-7-5-6-8-19(18)22(27)28/h5-12H,3-4,13-15H2,1-2H3,(H,27,28)