methyl (3R)-2-[2-[4-(4-methylphenyl)-4-oxidanylidene-butanoyl]oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[4-(4-methylphenyl)-4-oxidanylidene-butanoyl]oxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[4-oxo-4-(p-tolyl)butanoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[4-(4-methylphenyl)-1,4-dioxobutoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[4-keto-4-(p-tolyl)butanoyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C24H25NO6/c1-16-7-9-17(10-8-16)21(26)11-12-23(28)31-15-22(27)25-14-19-6-4-3-5-18(19)13-20(25)24(29)30-2/h3-10,20H,11-15H2,1-2H3/t20-/m1/s1