2-[[[2-butyl-4-chloranyl-5-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)imidazol-4-yl]-phenyl-methyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[[2-butyl-4-chloranyl-5-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)imidazol-4-yl]-phenyl-methyl]carbamoyl]benzoic acid Openeye Name: 2-[[[2-butyl-4-chloro-5-(3-hydroxy-2-methyl-3-oxo-propyl)imidazol-4-yl]-phenyl-methyl]carbamoyl]benzoic acid CAS Name: 2-[[[[2-butyl-4-chloro-5-(3-hydroxy-2-methyl-3-oxopropyl)-4-imidazolyl]-phenylmethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[[2-butyl-4-chloro-5-(3-hydroxy-2-methyl-3-oxopropyl)imidazol-4-yl]-phenylmethyl]carbamoyl]benzoic acid Traditional Name: 2-[[[2-butyl-4-chloro-5-(3-hydroxy-3-keto-2-methyl-propyl)imidazol-4-yl]-phenyl-methyl]carbamoyl]benzoic acid Formula: C26H28ClN3O5 MolecularWeight: 497.97062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=N1)CC(C)C(=O)O)(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(C(=N1)CC(C)C(=O)O)(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C26H28ClN3O5/c1-3-4-14-21-28-20(15-16(2)24(32)33)26(27,30-21)22(17-10-6-5-7-11-17)29-23(31)18-12-8-9-13-19(18)25(34)35/h5-13,16,22H,3-4,14-15H2,1-2H3,(H,29,31)(H,32,33)(H,34,35)