ethyl 4-[[6,7-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: ethyl 4-[[6,7-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[6,7-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[(E)-1-oxo-3-phenylprop-2-enyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6,7-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-[(E)-3-phenylacryloyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C30H31NO6 MolecularWeight: 501.57024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C=CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)/C=C/C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C30H31NO6/c1-4-36-30(33)22-11-13-24(14-12-22)37-20-26-25-19-28(35-3)27(34-2)18-23(25)16-17-31(26)29(32)15-10-21-8-6-5-7-9-21/h5-15,18-19,26H,4,16-17,20H2,1-3H3/b15-10+