(2S)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4H-1,4-benzoxazin-3-one Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CC3C(=O)NC4=CC=CC=C4O3)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3)OCC

InChI

InChI=1S/C23H26N2O5/c1-3-28-19-11-15-9-10-25(14-16(15)12-20(19)29-4-2)22(26)13-21-23(27)24-17-7-5-6-8-18(17)30-21/h5-8,11-12,21H,3-4,9-10,13-14H2,1-2H3,(H,24,27)/t21-/m0/s1