ethyl 4-[butyl(methyl)amino]-3-oct-1-ynyl-benzoate

Systemtic Name: ethyl 4-[butyl(methyl)amino]-3-oct-1-ynyl-benzoate Openeye Name: ethyl 4-[butyl(methyl)amino]-3-oct-1-ynyl-benzoate CAS Name: 4-[butyl(methyl)amino]-3-oct-1-ynylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[butyl(methyl)amino]-3-oct-1-ynylbenzoate Traditional Name: 4-[butyl(methyl)amino]-3-oct-1-ynyl-benzoic acid ethyl ester Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C(C=CC(=C1)C(=O)OCC)N(C)CCCC

Isomeric SMILES

CCCCCCC#CC1=C(C=CC(=C1)C(=O)OCC)N(C)CCCC

InChI

InChI=1S/C22H33NO2/c1-5-8-10-11-12-13-14-19-18-20(22(24)25-7-3)15-16-21(19)23(4)17-9-6-2/h15-16,18H,5-12,17H2,1-4H3