2-[[(4-hexoxyphenyl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(4-hexoxyphenyl)amino]methylidene]propanedioic acid Openeye Name: 2-[(4-hexoxyanilino)methylene]propanedioic acid CAS Name: 2-[(4-hexoxyanilino)methylidene]propanedioic acid IUPAC Name: 2-[(4-hexoxyanilino)methylidene]propanedioic acid Traditional Name: 2-[(4-hexoxyanilino)methylene]malonic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO5/c1-2-3-4-5-10-22-13-8-6-12(7-9-13)17-11-14(15(18)19)16(20)21/h6-9,11,17H,2-5,10H2,1H3,(H,18,19)(H,20,21)