ethyl 4-[butyl(methyl)amino]-3-[2-(cyclohexen-1-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[butyl(methyl)amino]-3-[2-(cyclohexen-1-yl)ethynyl]benzoate Openeye Name: ethyl 4-[butyl(methyl)amino]-3-[2-(cyclohexen-1-yl)ethynyl]benzoate CAS Name: 4-[butyl(methyl)amino]-3-[2-(1-cyclohexenyl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[butyl(methyl)amino]-3-[2-(cyclohexen-1-yl)ethynyl]benzoate Traditional Name: 4-[butyl(methyl)amino]-3-[2-(cyclohexen-1-yl)ethynyl]benzoic acid ethyl ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)C(=O)OCC)C#CC2=CCCCC2

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C(=O)OCC)C#CC2=CCCCC2

InChI

InChI=1S/C22H29NO2/c1-4-6-16-23(3)21-15-14-20(22(24)25-5-2)17-19(21)13-12-18-10-8-7-9-11-18/h10,14-15,17H,4-9,11,16H2,1-3H3