methyl 3-[2-[3-(2-cyclopent-2-en-1-ylethanoylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(2-cyclopent-2-en-1-ylethanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(1-cyclopent-2-enyl)-1-oxoethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C23H21NO3 MolecularWeight: 359.41774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CC3CCC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CC3CCC=C3

InChI

InChI=1S/C23H21NO3/c1-27-23(26)20-10-4-8-18(14-20)12-13-19-9-5-11-21(15-19)24-22(25)16-17-6-2-3-7-17/h2,4-6,8-11,14-15,17H,3,7,16H2,1H3,(H,24,25)