[4-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] prop-2-enoate

Systemtic Name: [4-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] prop-2-enoate Openeye Name: [4-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] prop-2-enoate CAS Name: 2-propenoic acid [4-[2-[4-[(2-methyl-1-oxobutyl)amino]phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] prop-2-enoate Traditional Name: acrylic acid [4-[2-[4-(2-methylbutanoylamino)phenyl]ethynyl]phenyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3/c1-4-16(3)22(25)23-19-12-8-17(9-13-19)6-7-18-10-14-20(15-11-18)26-21(24)5-2/h5,8-16H,2,4H2,1,3H3,(H,23,25)