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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-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-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H17NO5/c20-17(19-10-13-6-2-1-3-7-13)12-23-18(21)16-11-22-14-8-4-5-9-15(14)24-16/h1-9,16H,10-12H2,(H,19,20)/t16-/m0/s1