methyl 2-[(4-methylphenyl)carbonylamino]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoate

Systemtic Name: methyl 2-[(4-methylphenyl)carbonylamino]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoate Openeye Name: methyl 2-[(4-methylbenzoyl)amino]-3-(1-tritylimidazol-4-yl)propanoate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-3-[1-(triphenylmethyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylbenzoyl)amino]-3-(1-tritylimidazol-4-yl)propanoate Traditional Name: 2-(p-toluoylamino)-3-(1-tritylimidazol-4-yl)propionic acid methyl ester Formula: C34H31N3O3 MolecularWeight: 529.62824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C34H31N3O3/c1-25-18-20-26(21-19-25)32(38)36-31(33(39)40-2)22-30-23-37(24-35-30)34(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-21,23-24,31H,22H2,1-2H3,(H,36,38)