3-[1-(4-propylphenyl)ethylamino]benzoic acid

Systemtic Name: 3-[1-(4-propylphenyl)ethylamino]benzoic acid Openeye Name: 3-[1-(4-propylphenyl)ethylamino]benzoic acid CAS Name: 3-[1-(4-propylphenyl)ethylamino]benzoic acid IUPAC Name: 3-[1-(4-propylphenyl)ethylamino]benzoic acid Traditional Name: 3-[1-(4-propylphenyl)ethylamino]benzoic acid Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H21NO2/c1-3-5-14-8-10-15(11-9-14)13(2)19-17-7-4-6-16(12-17)18(20)21/h4,6-13,19H,3,5H2,1-2H3,(H,20,21)