(3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-yl) benzoate

Systemtic Name: (3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-yl) benzoate Openeye Name: (3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-yl) benzoate CAS Name: benzoic acid (3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-yl) ester IUPAC Name: (3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-yl) benzoate Traditional Name: benzoic acid (3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinolin-2-yl) ester Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3CC4=CC=CC=C4CN3CCC2=C1)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2C3CC4=CC=CC=C4CN3CCC2=C1)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23NO3/c1-28-23-14-19-11-12-26-16-20-10-6-5-9-18(20)13-22(26)21(19)15-24(23)29-25(27)17-7-3-2-4-8-17/h2-10,14-15,22H,11-13,16H2,1H3