tert-butyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate

Systemtic Name: tert-butyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate Openeye Name: tert-butyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoate Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-2-phenyl-benzoic acid tert-butyl ester Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C29H28N4O2/c1-29(2,3)35-28(34)26-14-13-24(15-27(26)23-7-5-4-6-8-23)32-18-25-17-31-20-33(25)19-22-11-9-21(16-30)10-12-22/h4-15,17,20,32H,18-19H2,1-3H3