methyl 3-[2-[3-[4-(4-methylphenoxy)butanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[4-(4-methylphenoxy)butanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[4-(4-methylphenoxy)butanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[4-(4-methylphenoxy)-1-oxobutyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[4-(4-methylphenoxy)butanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[4-(4-methylphenoxy)butanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C27H25NO4/c1-20-11-15-25(16-12-20)32-17-5-10-26(29)28-24-9-4-7-22(19-24)14-13-21-6-3-8-23(18-21)27(30)31-2/h3-4,6-9,11-12,15-16,18-19H,5,10,17H2,1-2H3,(H,28,29)