(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)OC1

InChI

InChI=1S/C18H17NO5/c19-17(20)16(12-5-2-1-3-6-12)24-18(21)13-7-8-14-15(11-13)23-10-4-9-22-14/h1-3,5-8,11,16H,4,9-10H2,(H2,19,20)