pentyl 4-(3-methylbutanoylamino)benzoate

Systemtic Name: pentyl 4-(3-methylbutanoylamino)benzoate Openeye Name: pentyl 4-(3-methylbutanoylamino)benzoate CAS Name: 4-[(3-methyl-1-oxobutyl)amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-(3-methylbutanoylamino)benzoate Traditional Name: 4-(isovalerylamino)benzoic acid amyl ester Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-4-5-6-11-21-17(20)14-7-9-15(10-8-14)18-16(19)12-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)