[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5/c22-19(21-12-6-9-15-7-2-1-3-8-15)14-25-20(23)18-13-24-16-10-4-5-11-17(16)26-18/h1-5,7-8,10-11,18H,6,9,12-14H2,(H,21,22)/t18-/m0/s1