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

Systemtic Name: methyl 2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)CNCC2=CN=CN2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)CNCC2=CN=CN2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H32N4O3/c1-19(2)13-27(29(35)36-3)33-28(34)25-12-11-20(15-30-16-22-17-31-18-32-22)14-26(25)24-10-6-8-21-7-4-5-9-23(21)24/h4-12,14,17-19,27,30H,13,15-16H2,1-3H3,(H,31,32)(H,33,34)