methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(o-tolyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)benzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(o-tolyl)benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CN3)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CN3)C(=O)NC(CC(C)C)C(=O)OC

InChI

InChI=1S/C25H30N4O3/c1-16(2)11-23(25(31)32-4)29-24(30)21-10-9-18(27-14-19-13-26-15-28-19)12-22(21)20-8-6-5-7-17(20)3/h5-10,12-13,15-16,23,27H,11,14H2,1-4H3,(H,26,28)(H,29,30)