[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H31N3O6/c1-4-5-14-29-21-9-7-6-8-19(21)28-20(26(29)32)11-13-25(31)35-17-24(30)27-16-18-10-12-22(33-2)23(15-18)34-3/h6-10,12,15H,4-5,11,13-14,16-17H2,1-3H3,(H,27,30)