2-[2-oxidanylidene-2-[(2-oxidanylideneazepan-3-yl)amino]ethyl]benzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(2-oxidanylideneazepan-3-yl)amino]ethyl]benzoic acid Openeye Name: 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]benzoic acid CAS Name: 2-[2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl]benzoic acid IUPAC Name: 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]benzoic acid Traditional Name: 2-[2-keto-2-[(2-ketoazepan-3-yl)amino]ethyl]benzoic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H18N2O4/c18-13(17-12-7-3-4-8-16-14(12)19)9-10-5-1-2-6-11(10)15(20)21/h1-2,5-6,12H,3-4,7-9H2,(H,16,19)(H,17,18)(H,20,21)