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

Systemtic Name: methyl 2-[(triphenylmethyl)amino]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoate Openeye Name: methyl 2-(tritylamino)-3-(1-tritylimidazol-4-yl)propanoate CAS Name: 2-[(triphenylmethyl)amino]-3-[1-(triphenylmethyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-(tritylamino)-3-(1-tritylimidazol-4-yl)propanoate Traditional Name: 2-(tritylamino)-3-(1-tritylimidazol-4-yl)propionic acid methyl ester Formula: C45H39N3O2 MolecularWeight: 653.81006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

COC(=O)C(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C45H39N3O2/c1-50-43(49)42(47-44(35-20-8-2-9-21-35,36-22-10-3-11-23-36)37-24-12-4-13-25-37)32-41-33-48(34-46-41)45(38-26-14-5-15-27-38,39-28-16-6-17-29-39)40-30-18-7-19-31-40/h2-31,33-34,42,47H,32H2,1H3