ethyl 1-[(2S)-3-methyl-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-3-methyl-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-methyl-1-oxo-2-[[oxo-(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]amino]butyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[(3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-methyl-butanoyl]isonipecotic acid ethyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C(C)C)NC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C22H30N4O5/c1-4-31-21(29)15-9-11-25(12-10-15)20(28)19(14(2)3)24-22(30)26-13-18(27)23-16-7-5-6-8-17(16)26/h5-8,14-15,19H,4,9-13H2,1-3H3,(H,23,27)(H,24,30)/t19-/m0/s1