methyl (3R)-2-[2-(4-propoxyphenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(4-propoxyphenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-propoxybenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-[oxo-(4-propoxyphenyl)methoxy]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-propoxybenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-propoxybenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C23H25NO6/c1-3-12-29-19-10-8-16(9-11-19)22(26)30-15-21(25)24-14-18-7-5-4-6-17(18)13-20(24)23(27)28-2/h4-11,20H,3,12-15H2,1-2H3/t20-/m1/s1