[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate CAS Name: 2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-quinoline-4-carboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Traditional Name: 2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=CC(=C3C=CC(=O)C=C3)NC4=CC=CC=C42

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=CC(=C3C=CC(=O)C=C3)NC4=CC=CC=C42

InChI

InChI=1S/C25H26N2O4/c28-19-12-10-18(11-13-19)23-16-21(20-8-4-5-9-22(20)26-23)25(30)31-17-24(29)27-14-6-2-1-3-7-15-27/h4-5,8-13,16,26H,1-3,6-7,14-15,17H2