4-[3-[(3-chloranyl-4-cyano-phenyl)amino]-2-(oxan-4-yl)-2-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[3-[(3-chloranyl-4-cyano-phenyl)amino]-2-(oxan-4-yl)-2-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[3-(3-chloro-4-cyano-anilino)-2-hydroxy-3-oxo-2-tetrahydropyran-4-yl-propyl]benzoic acid CAS Name: 4-[3-(3-chloro-4-cyanoanilino)-2-hydroxy-2-(4-oxanyl)-3-oxopropyl]benzoic acid IUPAC Name: 4-[3-(3-chloro-4-cyanoanilino)-2-hydroxy-2-(oxan-4-yl)-3-oxopropyl]benzoic acid Traditional Name: 4-[3-(3-chloro-4-cyano-anilino)-2-hydroxy-3-keto-2-tetrahydropyran-4-yl-propyl]benzoic acid Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(CC2=CC=C(C=C2)C(=O)O)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

Isomeric SMILES

C1COCCC1C(CC2=CC=C(C=C2)C(=O)O)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

InChI

InChI=1S/C22H21ClN2O5/c23-19-11-18(6-5-16(19)13-24)25-21(28)22(29,17-7-9-30-10-8-17)12-14-1-3-15(4-2-14)20(26)27/h1-6,11,17,29H,7-10,12H2,(H,25,28)(H,26,27)