[1-[2-(1H-imidazol-5-yl)ethylamino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl] naphthalene-2-carboxylate

Systemtic Name: [1-[2-(1H-imidazol-5-yl)ethylamino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl] naphthalene-2-carboxylate Openeye Name: [2-[2-(1H-imidazol-5-yl)ethylamino]-1-(1-naphthylmethyl)-2-oxo-ethyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [1-[2-(1H-imidazol-5-yl)ethylamino]-3-(1-naphthalenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(1H-imidazol-5-yl)ethylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-[2-(1H-imidazol-5-yl)ethylamino]-2-keto-1-(1-naphthylmethyl)ethyl] ester Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)OC(CC3=CC=CC4=CC=CC=C43)C(=O)NCCC5=CN=CN5

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)OC(CC3=CC=CC4=CC=CC=C43)C(=O)NCCC5=CN=CN5

InChI

InChI=1S/C29H25N3O3/c33-28(31-15-14-25-18-30-19-32-25)27(17-23-10-5-9-21-7-3-4-11-26(21)23)35-29(34)24-13-12-20-6-1-2-8-22(20)16-24/h1-13,16,18-19,27H,14-15,17H2,(H,30,32)(H,31,33)