2-[5-oxidanylidene-7-[(phenylmethyl)carbamoylamino]-2,3-dihydro-1,4-benzoxazepin-4-yl]ethanoic acid

Systemtic Name: 2-[5-oxidanylidene-7-[(phenylmethyl)carbamoylamino]-2,3-dihydro-1,4-benzoxazepin-4-yl]ethanoic acid Openeye Name: 2-[7-(benzylcarbamoylamino)-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]acetic acid CAS Name: 2-[5-oxo-7-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3-dihydro-1,4-benzoxazepin-4-yl]acetic acid IUPAC Name: 2-[7-(benzylcarbamoylamino)-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]acetic acid Traditional Name: 2-[7-(benzylcarbamoylamino)-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl]acetic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC=C3)C(=O)N1CC(=O)O

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC=C3)C(=O)N1CC(=O)O

InChI

InChI=1S/C19H19N3O5/c23-17(24)12-22-8-9-27-16-7-6-14(10-15(16)18(22)25)21-19(26)20-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,23,24)(H2,20,21,26)