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

Systemtic Name: [1-[2-(1H-imidazol-5-yl)ethylamino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl] naphthalene-1-carboxylate Openeye Name: [2-[2-(1H-imidazol-5-yl)ethylamino]-1-(1-naphthylmethyl)-2-oxo-ethyl] naphthalene-1-carboxylate CAS Name: 1-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-1-carboxylate Traditional Name: naphthalene-1-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(=C1)C=CC=C2CC(C(=O)NCCC3=CN=CN3)OC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(C(=O)NCCC3=CN=CN3)OC(=O)C4=CC=CC5=CC=CC=C54

InChI

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