[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-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-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H29N3O4/c1-2-3-15-29-23-11-7-6-10-21(23)27-22(26(29)32)12-13-25(31)33-18-24(30)28-16-14-19-8-4-5-9-20(19)17-28/h4-11H,2-3,12-18H2,1H3