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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-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-(azepan-1-yl)-2-keto-ethyl] ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4/c31-25(29-17-8-1-2-9-18-29)20-34-26(32)15-14-23-27(33)30(19-16-21-10-4-3-5-11-21)24-13-7-6-12-22(24)28-23/h3-7,10-13H,1-2,8-9,14-20H2