2-[[2-butyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-butyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-butyl-3-(o-tolylmethyl)imidazol-4-yl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-butyl-3-[(2-methylphenyl)methyl]-4-imidazolyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-butyl-3-(2-methylbenzyl)imidazol-4-yl]methylamino]-3-phenyl-propionic acid Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2C)CNC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2C)CNC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H31N3O2/c1-3-4-14-24-27-17-22(28(24)18-21-13-9-8-10-19(21)2)16-26-23(25(29)30)15-20-11-6-5-7-12-20/h5-13,17,23,26H,3-4,14-16,18H2,1-2H3,(H,29,30)