[1-[2-(1H-imidazol-5-yl)ethylamino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [1-[2-(1H-imidazol-5-yl)ethylamino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl] 9H-xanthene-9-carboxylate Openeye Name: [2-[2-(1H-imidazol-5-yl)ethylamino]-1-(1-naphthylmethyl)-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic 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] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[2-(1H-imidazol-5-yl)ethylamino]-2-keto-1-(1-naphthylmethyl)ethyl] ester Formula: C32H27N3O4 MolecularWeight: 517.57448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(C(=O)NCCC3=CN=CN3)OC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(C(=O)NCCC3=CN=CN3)OC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C32H27N3O4/c36-31(34-17-16-23-19-33-20-35-23)29(18-22-10-7-9-21-8-1-2-11-24(21)22)39-32(37)30-25-12-3-5-14-27(25)38-28-15-6-4-13-26(28)30/h1-15,19-20,29-30H,16-18H2,(H,33,35)(H,34,36)