hexyl 4-(3-methylbutanoylamino)benzoate

Systemtic Name: hexyl 4-(3-methylbutanoylamino)benzoate Openeye Name: hexyl 4-(3-methylbutanoylamino)benzoate CAS Name: 4-[(3-methyl-1-oxobutyl)amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-(3-methylbutanoylamino)benzoate Traditional Name: 4-(isovalerylamino)benzoic acid hexyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

InChI

InChI=1S/C18H27NO3/c1-4-5-6-7-12-22-18(21)15-8-10-16(11-9-15)19-17(20)13-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20)