[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4/c1-20-8-7-16-29(18-20)25(31)19-34-26(32)14-13-23-27(33)30(17-15-21-9-3-2-4-10-21)24-12-6-5-11-22(24)28-23/h2-6,9-12,20H,7-8,13-19H2,1H3