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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 2-(6-methoxy-2-naphthyl)quinoline-4-carboxylate CAS Name: 2-(6-methoxy-2-naphthalenyl)-4-quinolinecarboxylic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(6-methoxy-2-naphthyl)cinchoninic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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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)NC5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5CCCCC5

InChI

InChI=1S/C29H28N2O4/c1-34-23-14-13-19-15-21(12-11-20(19)16-23)27-17-25(24-9-5-6-10-26(24)31-27)29(33)35-18-28(32)30-22-7-3-2-4-8-22/h5-6,9-17,22H,2-4,7-8,18H2,1H3,(H,30,32)