methyl 2-[2-azanylidene-3-[(4-tert-butylphenyl)methyl]benzimidazol-1-yl]ethanoate

Systemtic Name: methyl 2-[2-azanylidene-3-[(4-tert-butylphenyl)methyl]benzimidazol-1-yl]ethanoate Openeye Name: methyl 2-[3-[(4-tert-butylphenyl)methyl]-2-imino-benzimidazol-1-yl]acetate CAS Name: 2-[3-[(4-tert-butylphenyl)methyl]-2-imino-1-benzimidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]acetate Traditional Name: 2-[3-(4-tert-butylbenzyl)-2-imino-benzimidazol-1-yl]acetic acid methyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)OC

InChI

InChI=1S/C21H25N3O2/c1-21(2,3)16-11-9-15(10-12-16)13-23-17-7-5-6-8-18(17)24(20(23)22)14-19(25)26-4/h5-12,22H,13-14H2,1-4H3