[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-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 [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 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 [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC(=C2C=CC(=O)C=C2)NC3=CC=CC=C31

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC(=C2C=CC(=O)C=C2)NC3=CC=CC=C31

InChI

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