[4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]phenyl] 4-(2-methylbutanoylamino)benzoate

Systemtic Name: [4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]phenyl] 4-(2-methylbutanoylamino)benzoate Openeye Name: [4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]phenyl] 4-(2-methylbutanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxobutyl)amino]benzoic acid [4-[2-[4-(1-oxoprop-2-enoxy)phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-(4-prop-2-enoyloxyphenyl)ethynyl]phenyl] 4-(2-methylbutanoylamino)benzoate Traditional Name: 4-(2-methylbutanoylamino)benzoic acid [4-[2-(4-acryloyloxyphenyl)ethynyl]phenyl] ester Formula: C29H25NO5 MolecularWeight: 467.5125

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC(=O)C=C

Isomeric SMILES

CCC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC(=O)C=C

InChI

InChI=1S/C29H25NO5/c1-4-20(3)28(32)30-24-14-12-23(13-15-24)29(33)35-26-18-10-22(11-19-26)7-6-21-8-16-25(17-9-21)34-27(31)5-2/h5,8-20H,2,4H2,1,3H3,(H,30,32)