(phenylmethyl) 4-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]naphthalene-2-carboxylate Openeye Name: benzyl 4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-[(2-methoxy-1-methyl-2-oxo-ethyl)amino]naphthalene-2-carboxylate CAS Name: 4-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-[(1-methoxy-1-oxopropan-2-yl)amino]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-[(1-methoxy-1-oxopropan-2-yl)amino]naphthalene-2-carboxylate Traditional Name: 4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-[(2-keto-2-methoxy-1-methyl-ethyl)amino]naphthalene-2-carboxylic acid benzyl ester Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=C(C2=CC=CC=C2C=C1C(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CN=CN4)N

Isomeric SMILES

CC(C(=O)OC)NC1=C(C2=CC=CC=C2C=C1C(=O)OCC3=CC=CC=C3)C(=O)C(CC4=CN=CN4)N

InChI

InChI=1S/C28H28N4O5/c1-17(27(34)36-2)32-25-22(28(35)37-15-18-8-4-3-5-9-18)12-19-10-6-7-11-21(19)24(25)26(33)23(29)13-20-14-30-16-31-20/h3-12,14,16-17,23,32H,13,15,29H2,1-2H3,(H,30,31)