[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C28H19IN2O3 MolecularWeight: 558.36653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=CC=C(C=C5)I

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=CC=C(C=C5)I

InChI

InChI=1S/C28H19IN2O3/c29-19-12-14-20(15-13-19)30-27(32)17-34-28(33)24-16-26(31-25-11-4-3-9-23(24)25)22-10-5-7-18-6-1-2-8-21(18)22/h1-16H,17H2,(H,30,32)