[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(6-methoxy-2-naphthyl)quinoline-4-carboxylate CAS Name: 2-(6-methoxy-2-naphthalenyl)-4-quinolinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(6-methoxy-2-naphthyl)cinchoninic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C26H21N3O4/c1-32-20-10-9-17-13-19(8-7-18(17)14-20)24-15-22(21-5-2-3-6-23(21)29-24)26(31)33-16-25(30)28-12-4-11-27/h2-3,5-10,13-15H,4,12,16H2,1H3,(H,28,30)