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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O4/c33-27(30-23-13-7-2-1-3-8-14-23)21-36-28(34)18-17-25-29(35)32(20-19-22-11-5-4-6-12-22)26-16-10-9-15-24(26)31-25/h4-6,9-12,15-16,23H,1-3,7-8,13-14,17-21H2,(H,30,33)