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

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-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-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-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-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-3-14(2)24-23(30)26-21(28)13-31-22(29)18-12-20(15-8-10-16(27)11-9-15)25-19-7-5-4-6-17(18)19/h4-12,14,25H,3,13H2,1-2H3,(H2,24,26,28,30)/t14-/m0/s1