methyl 4-[(E,1R)-1-(2,2-dimethylpropanoylamino)-2-propyl-hex-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,1R)-1-(2,2-dimethylpropanoylamino)-2-propyl-hex-2-enyl]benzoate Openeye Name: methyl 4-[(E,1R)-1-(2,2-dimethylpropanoylamino)-2-propyl-hex-2-enyl]benzoate CAS Name: 4-[(E,1R)-1-[(2,2-dimethyl-1-oxopropyl)amino]-2-propylhex-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,1R)-1-(2,2-dimethylpropanoylamino)-2-propylhex-2-enyl]benzoate Traditional Name: 4-[(E,1R)-1-(pivaloylamino)-2-propyl-hex-2-enyl]benzoic acid methyl ester Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(CCC)C(C1=CC=C(C=C1)C(=O)OC)NC(=O)C(C)(C)C

Isomeric SMILES

CCC/C=C(\CCC)/[C@H](C1=CC=C(C=C1)C(=O)OC)NC(=O)C(C)(C)C

InChI

InChI=1S/C22H33NO3/c1-7-9-11-16(10-8-2)19(23-21(25)22(3,4)5)17-12-14-18(15-13-17)20(24)26-6/h11-15,19H,7-10H2,1-6H3,(H,23,25)/b16-11+/t19-/m1/s1