[3-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] 2-methylprop-2-enoate

Systemtic Name: [3-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] 2-methylprop-2-enoate Openeye Name: [3-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [3-[2-[4-[(2-methyl-1-oxobutyl)amino]phenyl]ethynyl]phenyl] ester IUPAC Name: [3-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [3-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=C(C=C1)C#CC2=CC(=CC=C2)OC(=O)C(=C)C

Isomeric SMILES

CCC(C)C(=O)NC1=CC=C(C=C1)C#CC2=CC(=CC=C2)OC(=O)C(=C)C

InChI

InChI=1S/C23H23NO3/c1-5-17(4)22(25)24-20-13-11-18(12-14-20)9-10-19-7-6-8-21(15-19)27-23(26)16(2)3/h6-8,11-15,17H,2,5H2,1,3-4H3,(H,24,25)