ethyl 2-methoxy-6-[[2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzoate

Systemtic Name: ethyl 2-methoxy-6-[[2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzoate Openeye Name: ethyl 2-[(2-benzyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-6-methoxy-benzoate CAS Name: 2-methoxy-6-[[2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-6-methoxybenzoate Traditional Name: 2-[(2-benzyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-6-methoxy-benzoic acid ethyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1OC)CC2C3=CC=CC=C3CCN2CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1OC)CC2C3=CC=CC=C3CCN2CC4=CC=CC=C4

InChI

InChI=1S/C27H29NO3/c1-3-31-27(29)26-22(13-9-15-25(26)30-2)18-24-23-14-8-7-12-21(23)16-17-28(24)19-20-10-5-4-6-11-20/h4-15,24H,3,16-19H2,1-2H3