(4aS,7R,8aS)-1-ethoxy-7-phenylmethoxy-5-(phenylmethoxymethyl)-4a,7,8,8a-tetrahydro-4H-isoquinolin-3-one

Systemtic Name: (4aS,7R,8aS)-1-ethoxy-7-phenylmethoxy-5-(phenylmethoxymethyl)-4a,7,8,8a-tetrahydro-4H-isoquinolin-3-one Openeye Name: (4aS,7R,8aS)-7-benzyloxy-5-(benzyloxymethyl)-1-ethoxy-4a,7,8,8a-tetrahydro-4H-isoquinolin-3-one CAS Name: (4aS,7R,8aS)-1-ethoxy-7-phenylmethoxy-5-(phenylmethoxymethyl)-4a,7,8,8a-tetrahydro-4H-isoquinolin-3-one IUPAC Name: (4aS,7R,8aS)-1-ethoxy-7-phenylmethoxy-5-(phenylmethoxymethyl)-4a,7,8,8a-tetrahydro-4H-isoquinolin-3-one Traditional Name: (4aS,7R,8aS)-7-benzoxy-5-(benzoxymethyl)-1-ethoxy-4a,7,8,8a-tetrahydro-4H-isoquinolin-3-one Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=O)CC2C1CC(C=C2COCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=NC(=O)C[C@H]2[C@@H]1C[C@H](C=C2COCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29NO4/c1-2-30-26-24-14-22(31-17-20-11-7-4-8-12-20)13-21(23(24)15-25(28)27-26)18-29-16-19-9-5-3-6-10-19/h3-13,22-24H,2,14-18H2,1H3/t22-,23+,24-/m0/s1