[4-[[(2S)-2-methyl-3-oxidanylidene-2,4-dihydroquinoxalin-1-yl]carbonyl]phenyl] N-butylcarbamate

Systemtic Name: [4-[[(2S)-2-methyl-3-oxidanylidene-2,4-dihydroquinoxalin-1-yl]carbonyl]phenyl] N-butylcarbamate Openeye Name: [4-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [4-[[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2S)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [4-[(2S)-3-keto-2-methyl-2,4-dihydroquinoxaline-1-carbonyl]phenyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1=CC=C(C=C1)C(=O)N2C(C(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CCCCNC(=O)OC1=CC=C(C=C1)C(=O)N2[C@H](C(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C21H23N3O4/c1-3-4-13-22-21(27)28-16-11-9-15(10-12-16)20(26)24-14(2)19(25)23-17-7-5-6-8-18(17)24/h5-12,14H,3-4,13H2,1-2H3,(H,22,27)(H,23,25)/t14-/m0/s1