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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C30H29N3O4 MolecularWeight: 495.56896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O4/c34-28(32-18-17-23-10-4-5-11-24(23)20-32)21-37-29(35)15-14-26-30(36)33(19-16-22-8-2-1-3-9-22)27-13-7-6-12-25(27)31-26/h1-13H,14-21H2