(3R)-2-[2-(4-propanoylphenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-[2-(4-propanoylphenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-[2-(4-propanoylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-[2-(4-propanoylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-propionylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C21H20NO5- MolecularWeight: 366.3872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-2-19(23)14-7-9-17(10-8-14)27-13-20(24)22-12-16-6-4-3-5-15(16)11-18(22)21(25)26/h3-10,18H,2,11-13H2,1H3,(H,25,26)/p-1/t18-/m1/s1