3-azanyl-4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 3-azanyl-4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-amino-4-[2-(azepan-1-yl)-2-oxo-ethoxy]benzoic acid CAS Name: 3-amino-4-[2-(1-azepanyl)-2-oxoethoxy]benzoic acid IUPAC Name: 3-amino-4-[2-(azepan-1-yl)-2-oxoethoxy]benzoic acid Traditional Name: 3-amino-4-[2-(azepan-1-yl)-2-keto-ethoxy]benzoic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)C(=O)O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)C(=O)O)N

InChI

InChI=1S/C15H20N2O4/c16-12-9-11(15(19)20)5-6-13(12)21-10-14(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10,16H2,(H,19,20)