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

Systemtic Name: 2-[1-[2-(8-carbamimidoyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoyl]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[2-(8-carbamimidoyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[2-(8-carbamimidoyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-1-oxopropyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[2-(8-carbamimidoyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[2-(8-amidino-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoyl]-4-piperidyl]oxy]acetic acid Formula: C20H26N4O6 MolecularWeight: 418.44364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)OCC(=O)O)N2CCOC3=C(C2=O)C=CC(=C3)C(=N)N

Isomeric SMILES

CC(C(=O)N1CCC(CC1)OCC(=O)O)N2CCOC3=C(C2=O)C=CC(=C3)C(=N)N

InChI

InChI=1S/C20H26N4O6/c1-12(19(27)23-6-4-14(5-7-23)30-11-17(25)26)24-8-9-29-16-10-13(18(21)22)2-3-15(16)20(24)28/h2-3,10,12,14H,4-9,11H2,1H3,(H3,21,22)(H,25,26)