(phenylmethyl) 6-methoxy-1-[2-(oxiran-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-methoxy-1-[2-(oxiran-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 6-methoxy-1-[2-(oxiran-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-methoxy-1-[2-(2-oxiranyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methoxy-1-[2-(oxiran-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-methoxy-1-[2-(oxiran-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(N(CC2)C(=O)OCC3=CC=CC=C3)CCC4CO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(N(CC2)C(=O)OCC3=CC=CC=C3)CCC4CO4

InChI

InChI=1S/C22H25NO4/c1-25-18-7-9-20-17(13-18)11-12-23(21(20)10-8-19-15-26-19)22(24)27-14-16-5-3-2-4-6-16/h2-7,9,13,19,21H,8,10-12,14-15H2,1H3