2-[4-[(diphenylmethyl)carbamoyl]imidazol-1-yl]ethanoic acid; hexane

Systemtic Name: 2-[4-[(diphenylmethyl)carbamoyl]imidazol-1-yl]ethanoic acid; hexane Openeye Name: 2-[4-(benzhydrylcarbamoyl)imidazol-1-yl]acetic acid; hexane CAS Name: 2-[4-[[(diphenylmethyl)amino]-oxomethyl]-1-imidazolyl]acetic acid; hexane IUPAC Name: 2-[4-(benzhydrylcarbamoyl)imidazol-1-yl]acetic acid; hexane Traditional Name: 2-[4-(benzhydrylcarbamoyl)imidazol-1-yl]acetic acid; n-hexane Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CN(C=N3)CC(=O)O

Isomeric SMILES

CCCCCC.C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CN(C=N3)CC(=O)O

InChI

InChI=1S/C19H17N3O3.C6H14/c23-17(24)12-22-11-16(20-13-22)19(25)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-3-5-6-4-2/h1-11,13,18H,12H2,(H,21,25)(H,23,24);3-6H2,1-2H3