methyl 4-[4-[(3-chloranyl-4-cyano-phenyl)amino]-3-cyclopentyl-3-oxidanyl-4-oxidanylidene-but-1-ynyl]benzoate

Systemtic Name: methyl 4-[4-[(3-chloranyl-4-cyano-phenyl)amino]-3-cyclopentyl-3-oxidanyl-4-oxidanylidene-but-1-ynyl]benzoate Openeye Name: methyl 4-[4-(3-chloro-4-cyano-anilino)-3-cyclopentyl-3-hydroxy-4-oxo-but-1-ynyl]benzoate CAS Name: 4-[4-(3-chloro-4-cyanoanilino)-3-cyclopentyl-3-hydroxy-4-oxobut-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3-chloro-4-cyanoanilino)-3-cyclopentyl-3-hydroxy-4-oxobut-1-ynyl]benzoate Traditional Name: 4-[4-(3-chloro-4-cyano-anilino)-3-cyclopentyl-3-hydroxy-4-keto-but-1-ynyl]benzoic acid methyl ester Formula: C24H21ClN2O4 MolecularWeight: 436.88754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC(C2CCCC2)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC(C2CCCC2)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

InChI

InChI=1S/C24H21ClN2O4/c1-31-22(28)17-8-6-16(7-9-17)12-13-24(30,19-4-2-3-5-19)23(29)27-20-11-10-18(15-26)21(25)14-20/h6-11,14,19,30H,2-5H2,1H3,(H,27,29)