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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-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-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 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-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=C2C=CC(=O)C=C2)NC3=CC=CC=C31

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=CC(=C2C=CC(=O)C=C2)NC3=CC=CC=C31

InChI

InChI=1S/C23H24N2O4/c1-3-6-15(2)24-22(27)14-29-23(28)19-13-21(16-9-11-17(26)12-10-16)25-20-8-5-4-7-18(19)20/h4-5,7-13,15,25H,3,6,14H2,1-2H3,(H,24,27)/t15-/m0/s1