methyl 4-[(3-imidazol-1-ylpropylamino)methyl]-2-(2-methylphenyl)benzoate

Systemtic Name: methyl 4-[(3-imidazol-1-ylpropylamino)methyl]-2-(2-methylphenyl)benzoate Openeye Name: methyl 4-[(3-imidazol-1-ylpropylamino)methyl]-2-(o-tolyl)benzoate CAS Name: 4-[[3-(1-imidazolyl)propylamino]methyl]-2-(2-methylphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-[(3-imidazol-1-ylpropylamino)methyl]-2-(2-methylphenyl)benzoate Traditional Name: 4-[(3-imidazol-1-ylpropylamino)methyl]-2-(o-tolyl)benzoic acid methyl ester Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCCN3C=CN=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCCN3C=CN=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O2/c1-17-6-3-4-7-19(17)21-14-18(8-9-20(21)22(26)27-2)15-23-10-5-12-25-13-11-24-16-25/h3-4,6-9,11,13-14,16,23H,5,10,12,15H2,1-2H3