(phenylmethyl) 2-[(3S)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl]ethanoate hydrochloride

Systemtic Name: (phenylmethyl) 2-[(3S)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl]ethanoate hydrochloride Openeye Name: benzyl 2-[(3S)-3-amino-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetate hydrochloride CAS Name: 2-[(3S)-3-amino-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 2-[(3S)-3-amino-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetate hydrochloride Traditional Name: 2-[(3S)-3-amino-4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid benzyl ester hydrochloride Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2O1)CC(=O)OCC3=CC=CC=C3)N.Cl

Isomeric SMILES

C1[C@@H](C(=O)N(C2=CC=CC=C2O1)CC(=O)OCC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C18H18N2O4.ClH/c19-14-12-23-16-9-5-4-8-15(16)20(18(14)22)10-17(21)24-11-13-6-2-1-3-7-13;/h1-9,14H,10-12,19H2;1H/t14-;/m0./s1