methyl 3-[2-[3-[4-(4-cyano-2-methoxy-phenoxy)butanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[4-(4-cyano-2-methoxy-phenoxy)butanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[4-(4-cyano-2-methoxy-phenoxy)butanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[4-(4-cyano-2-methoxyphenoxy)-1-oxobutyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[4-(4-cyano-2-methoxy-phenoxy)butanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C28H24N2O5 MolecularWeight: 468.50056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C28H24N2O5/c1-33-26-18-22(19-29)13-14-25(26)35-15-5-10-27(31)30-24-9-4-7-21(17-24)12-11-20-6-3-8-23(16-20)28(32)34-2/h3-4,6-9,13-14,16-18H,5,10,15H2,1-2H3,(H,30,31)