methyl (3R)-2-[2-(2-methanoyl-4-methoxy-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(2-methanoyl-4-methoxy-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-formyl-4-methoxy-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2-formyl-4-methoxyphenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-formyl-4-methoxyphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-formyl-4-methoxy-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)C=O

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)C=O

InChI

InChI=1S/C21H21NO6/c1-26-17-7-8-19(16(9-17)12-23)28-13-20(24)22-11-15-6-4-3-5-14(15)10-18(22)21(25)27-2/h3-9,12,18H,10-11,13H2,1-2H3/t18-/m1/s1