[4-[2-[4-(phenoxycarbonylamino)phenyl]ethynyl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-[4-(phenoxycarbonylamino)phenyl]ethynyl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-[4-(phenoxycarbonylamino)phenyl]ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-[4-[[oxo(phenoxy)methyl]amino]phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[4-(phenoxycarbonylamino)phenyl]ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-[4-(carbophenoxyamino)phenyl]ethynyl]phenyl] ester Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C26H23NO4/c1-3-19(2)25(28)30-24-17-13-21(14-18-24)10-9-20-11-15-22(16-12-20)27-26(29)31-23-7-5-4-6-8-23/h4-8,11-19H,3H2,1-2H3,(H,27,29)