[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C21H20N2O3/c1-3-14(2)15-4-6-16(7-5-15)20(24)13-26-21(25)17-8-9-18-19(12-17)23-11-10-22-18/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1