4-[3-[[4-[(Z)-4-oxidanyl-4-oxidanylidene-but-2-en-2-yl]phenyl]amino]propoxy]benzoic acid

Systemtic Name: 4-[3-[[4-[(Z)-4-oxidanyl-4-oxidanylidene-but-2-en-2-yl]phenyl]amino]propoxy]benzoic acid Openeye Name: 4-[3-[4-[(Z)-3-hydroxy-1-methyl-3-oxo-prop-1-enyl]anilino]propoxy]benzoic acid CAS Name: 4-[3-[4-[(Z)-4-hydroxy-4-oxobut-2-en-2-yl]anilino]propoxy]benzoic acid IUPAC Name: 4-[3-[4-[(Z)-4-hydroxy-4-oxobut-2-en-2-yl]anilino]propoxy]benzoic acid Traditional Name: 4-[3-[4-[(Z)-3-hydroxy-3-keto-1-methyl-prop-1-enyl]anilino]propoxy]benzoic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC=C(C=C1)NCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C/C(=C/C(=O)O)/C1=CC=C(C=C1)NCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H21NO5/c1-14(13-19(22)23)15-3-7-17(8-4-15)21-11-2-12-26-18-9-5-16(6-10-18)20(24)25/h3-10,13,21H,2,11-12H2,1H3,(H,22,23)(H,24,25)/b14-13-