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

Systemtic Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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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=CN=CN2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H30N4O3/c1-18(2)13-26(28(34)35-3)32-27(33)24-12-11-20(30-16-21-15-29-17-31-21)14-25(24)23-10-6-8-19-7-4-5-9-22(19)23/h4-12,14-15,17-18,26,30H,13,16H2,1-3H3,(H,29,31)(H,32,33)