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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C29H19N3O3 MolecularWeight: 457.47946

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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=CC=C5C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=CC=CC=C5C#N

InChI

InChI=1S/C29H19N3O3/c30-17-20-9-2-5-14-25(20)32-28(33)18-35-29(34)24-16-27(31-26-15-6-4-12-23(24)26)22-13-7-10-19-8-1-3-11-21(19)22/h1-16H,18H2,(H,32,33)