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

Systemtic Name: methyl (3R)-2-[2-(2-ethoxy-4-methanoyl-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-ethoxy-4-formyl-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2-ethoxy-4-formylphenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-ethoxy-4-formylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-ethoxy-4-formyl-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C22H23NO6/c1-3-28-20-10-15(13-24)8-9-19(20)29-14-21(25)23-12-17-7-5-4-6-16(17)11-18(23)22(26)27-2/h4-10,13,18H,3,11-12,14H2,1-2H3/t18-/m1/s1