methyl 3-[2-[(4-tert-butylphenyl)methylamino]-2-oxidanylidene-ethyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 3-[2-[(4-tert-butylphenyl)methylamino]-2-oxidanylidene-ethyl]benzimidazole-4-carboxylate Openeye Name: methyl 3-[2-[(4-tert-butylphenyl)methylamino]-2-oxo-ethyl]benzimidazole-4-carboxylate CAS Name: 3-[2-[(4-tert-butylphenyl)methylamino]-2-oxoethyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(4-tert-butylphenyl)methylamino]-2-oxoethyl]benzimidazole-4-carboxylate Traditional Name: 3-[2-[(4-tert-butylbenzyl)amino]-2-keto-ethyl]benzimidazole-4-carboxylic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=CC=CC(=C32)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=CC=CC(=C32)C(=O)OC

InChI

InChI=1S/C22H25N3O3/c1-22(2,3)16-10-8-15(9-11-16)12-23-19(26)13-25-14-24-18-7-5-6-17(20(18)25)21(27)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,26)