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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C25H19N3O3 MolecularWeight: 409.43666

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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)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3/c26-13-6-14-27-24(29)16-31-25(30)21-15-23(28-22-12-4-3-10-20(21)22)19-11-5-8-17-7-1-2-9-18(17)19/h1-5,7-12,15H,6,14,16H2,(H,27,29)