methyl 3-[2-[3-(cyclopentylcarbonylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(cyclopentylcarbonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(cyclopentanecarbonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[cyclopentyl(oxo)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(cyclopentanecarbonylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(cyclopentanecarbonylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCC3

InChI

InChI=1S/C22H21NO3/c1-26-22(25)19-10-4-6-16(14-19)12-13-17-7-5-11-20(15-17)23-21(24)18-8-2-3-9-18/h4-7,10-11,14-15,18H,2-3,8-9H2,1H3,(H,23,24)