3-[(4-hydroxyphenyl)carbonylamino]-4-oxidanyl-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-oxidanyl-azepane-1-carboxylic acid Openeye Name: 4-hydroxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 4-hydroxy-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-hydroxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-hydroxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)O

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)O

InChI

InChI=1S/C14H18N2O5/c17-10-5-3-9(4-6-10)13(19)15-11-8-16(14(20)21)7-1-2-12(11)18/h3-6,11-12,17-18H,1-2,7-8H2,(H,15,19)(H,20,21)