[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C16H21NO5/c1-11(2)7-8-17-15(18)10-21-16(19)14-9-20-12-5-3-4-6-13(12)22-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)/t14-/m1/s1