2-(3-azanyl-2-oxidanylidene-azepan-1-yl)-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-(3-azanyl-2-oxidanylidene-azepan-1-yl)-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-(3-amino-2-oxo-azepan-1-yl)-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-(3-amino-2-oxo-1-azepanyl)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-(3-amino-2-oxoazepan-1-yl)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-(3-amino-2-keto-azepan-1-yl)-3-(4-hydroxyphenyl)propionic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N)C(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)N)C(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C15H20N2O4/c16-12-3-1-2-8-17(14(12)19)13(15(20)21)9-10-4-6-11(18)7-5-10/h4-7,12-13,18H,1-3,8-9,16H2,(H,20,21)