(2S)-2-azaniumyl-3-[1-[(4-methylphenyl)-diphenyl-methyl]imidazol-4-yl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[1-[(4-methylphenyl)-diphenyl-methyl]imidazol-4-yl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[1-[diphenyl(p-tolyl)methyl]imidazol-4-yl]propanoate CAS Name: (2S)-2-ammonio-3-[1-[(4-methylphenyl)-diphenylmethyl]-4-imidazolyl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[1-[(4-methylphenyl)-diphenylmethyl]imidazol-4-yl]propanoate Traditional Name: (2S)-2-ammonio-3-[1-[diphenyl(p-tolyl)methyl]imidazol-4-yl]propionate Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C26H25N3O2/c1-19-12-14-22(15-13-19)26(20-8-4-2-5-9-20,21-10-6-3-7-11-21)29-17-23(28-18-29)16-24(27)25(30)31/h2-15,17-18,24H,16,27H2,1H3,(H,30,31)/t24-/m0/s1