2-[1-[2-(8-carbamimidoyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoyl]piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[2-(8-carbamimidoyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoyl]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[2-(8-carbamimidoyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[2-(8-carbamimidoyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-1-oxoethyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[2-(8-carbamimidoyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[2-(8-amidino-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]-4-piperidyl]oxy]acetic acid Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC(=O)O)C(=O)CN2CCOC3=C(C2=O)C=CC(=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1OCC(=O)O)C(=O)CN2CCOC3=C(C2=O)C=CC(=C3)C(=N)N

InChI

InChI=1S/C19H24N4O6/c20-18(21)12-1-2-14-15(9-12)28-8-7-23(19(14)27)10-16(24)22-5-3-13(4-6-22)29-11-17(25)26/h1-2,9,13H,3-8,10-11H2,(H3,20,21)(H,25,26)