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

Systemtic Name: methyl 4-[[3-[(2-tert-butylphenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate Openeye Name: methyl 4-[[3-[(2-tert-butylphenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate CAS Name: 4-[[3-[(2-tert-butylphenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-tert-butylphenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoate Traditional Name: 4-[[3-(2-tert-butylbenzyl)imidazol-4-yl]methylamino]-2-phenyl-benzoic acid methyl ester Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1CN2C=NC=C2CNC3=CC(=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1CN2C=NC=C2CNC3=CC(=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2/c1-29(2,3)27-13-9-8-12-22(27)19-32-20-30-17-24(32)18-31-23-14-15-25(28(33)34-4)26(16-23)21-10-6-5-7-11-21/h5-17,20,31H,18-19H2,1-4H3