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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)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-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-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-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-3-12-23-21(26)14(2)28-22(27)18-13-20(15-8-10-16(25)11-9-15)24-19-7-5-4-6-17(18)19/h4-11,13-14,24H,3,12H2,1-2H3,(H,23,26)/t14-/m0/s1