methyl 3-[2-[3-[[(1S)-cyclohex-3-en-1-yl]carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[[(1S)-cyclohex-3-en-1-yl]carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[[(1S)-1-cyclohex-3-enyl]-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]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)C3CCC=CC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C23H21NO3/c1-27-23(26)20-11-5-7-17(15-20)13-14-18-8-6-12-21(16-18)24-22(25)19-9-3-2-4-10-19/h2-3,5-8,11-12,15-16,19H,4,9-10H2,1H3,(H,24,25)/t19-/m1/s1