(phenylmethyl) 1-but-3-enyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 1-but-3-enyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 1-but-3-enyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-but-3-enyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-but-3-enyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-but-3-enyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(N(CC2)C(=O)OCC3=CC=CC=C3)CCC=C

Isomeric SMILES

COC1=CC2=C(C=C1)C(N(CC2)C(=O)OCC3=CC=CC=C3)CCC=C

InChI

InChI=1S/C22H25NO3/c1-3-4-10-21-20-12-11-19(25-2)15-18(20)13-14-23(21)22(24)26-16-17-8-6-5-7-9-17/h3,5-9,11-12,15,21H,1,4,10,13-14,16H2,2H3