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

Systemtic Name: 2-[4-[[4-(aminomethyl)-2-butyl-3-chloranyl-2H-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(aminomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(aminomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(aminomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(aminomethyl)-2-butyl-3-chloro-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1Cl)CN)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1N(C=C(N1Cl)CN)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H26ClN3O2/c1-2-3-8-21-25(15-18(13-24)26(21)23)14-16-9-11-17(12-10-16)19-6-4-5-7-20(19)22(27)28/h4-7,9-12,15,21H,2-3,8,13-14,24H2,1H3,(H,27,28)