4-[[3-[(Z)-6-oxidanyl-6-oxidanylidene-1-pyridin-3-yl-hex-1-enyl]phenyl]carbamoylamino]benzoic acid

Systemtic Name: 4-[[3-[(Z)-6-oxidanyl-6-oxidanylidene-1-pyridin-3-yl-hex-1-enyl]phenyl]carbamoylamino]benzoic acid Openeye Name: 4-[[3-[(Z)-6-hydroxy-6-oxo-1-(3-pyridyl)hex-1-enyl]phenyl]carbamoylamino]benzoic acid CAS Name: 4-[[[3-[(Z)-6-hydroxy-6-oxo-1-(3-pyridinyl)hex-1-enyl]anilino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[(Z)-6-hydroxy-6-oxo-1-pyridin-3-ylhex-1-enyl]phenyl]carbamoylamino]benzoic acid Traditional Name: 4-[[3-[(Z)-6-hydroxy-6-keto-1-(3-pyridyl)hex-1-enyl]phenyl]carbamoylamino]benzoic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=O)O)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=O)O)/C(=C/CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C25H23N3O5/c29-23(30)9-2-1-8-22(19-6-4-14-26-16-19)18-5-3-7-21(15-18)28-25(33)27-20-12-10-17(11-13-20)24(31)32/h3-8,10-16H,1-2,9H2,(H,29,30)(H,31,32)(H2,27,28,33)/b22-8-