[(4aR,8aR)-5-methoxy-7-oxidanylidene-2-(phenylmethyl)-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ethanoate

Systemtic Name: [(4aR,8aR)-5-methoxy-7-oxidanylidene-2-(phenylmethyl)-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ethanoate Openeye Name: [(4aR,8aR)-2-benzyl-5-methoxy-7-oxo-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl acetate CAS Name: acetic acid [(4aR,8aR)-5-methoxy-7-oxo-2-(phenylmethyl)-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ester IUPAC Name: [(4aR,8aR)-2-benzyl-5-methoxy-7-oxo-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl acetate Traditional Name: acetic acid [(4aR,8aR)-2-benzyl-7-keto-5-methoxy-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCN(CC1CC(=O)C=C2OC)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC[C@@]12CCN(C[C@@H]1CC(=O)C=C2OC)CC3=CC=CC=C3

InChI

InChI=1S/C20H25NO4/c1-15(22)25-14-20-8-9-21(12-16-6-4-3-5-7-16)13-17(20)10-18(23)11-19(20)24-2/h3-7,11,17H,8-10,12-14H2,1-2H3/t17-,20-/m0/s1