4-(heptan-4-ylamino)benzoic acid

Systemtic Name: 4-(heptan-4-ylamino)benzoic acid Openeye Name: 4-(1-propylbutylamino)benzoic acid CAS Name: 4-(heptan-4-ylamino)benzoic acid IUPAC Name: 4-(heptan-4-ylamino)benzoic acid Traditional Name: 4-(1-propylbutylamino)benzoic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCC(CCC)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H21NO2/c1-3-5-12(6-4-2)15-13-9-7-11(8-10-13)14(16)17/h7-10,12,15H,3-6H2,1-2H3,(H,16,17)