[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(6-methoxy-2-naphthyl)quinoline-4-carboxylate CAS Name: 2-(6-methoxy-2-naphthalenyl)-4-quinolinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(6-methoxy-2-naphthyl)cinchoninic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C27H23N3O4/c1-30(13-5-12-28)26(31)17-34-27(32)23-16-25(29-24-7-4-3-6-22(23)24)20-9-8-19-15-21(33-2)11-10-18(19)14-20/h3-4,6-11,14-16H,5,13,17H2,1-2H3