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

Systemtic Name: methyl 2-[[4-(1H-imidazol-2-ylmethylamino)-2-phenyl-phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-(1H-imidazol-2-ylmethylamino)-2-phenyl-benzoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-(1H-imidazol-2-ylmethylamino)-2-phenylphenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1H-imidazol-2-ylmethylamino)-2-phenylbenzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-(1H-imidazol-2-ylmethylamino)-2-phenyl-benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC2=NC=CN2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC2=NC=CN2)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3/c1-16(2)13-21(24(30)31-3)28-23(29)19-10-9-18(27-15-22-25-11-12-26-22)14-20(19)17-7-5-4-6-8-17/h4-12,14,16,21,27H,13,15H2,1-3H3,(H,25,26)(H,28,29)