ethyl 2-[[4-[3-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)propanoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[3-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)propanoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[3-(4-methyl-3-oxo-quinoxalin-2-yl)propanoylamino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[3-(4-methyl-3-oxo-2-quinoxalinyl)-1-oxopropyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-(4-methyl-3-oxoquinoxalin-2-yl)propanoylamino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[3-(3-keto-4-methyl-quinoxalin-2-yl)propanoylamino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CCC3=NC4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CCC3=NC4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C29H35N5O5/c1-3-39-27(37)23(19-20-9-5-4-6-10-20)32-28(38)29(15-17-30-18-16-29)33-25(35)14-13-22-26(36)34(2)24-12-8-7-11-21(24)31-22/h4-12,23,30H,3,13-19H2,1-2H3,(H,32,38)(H,33,35)