3-[1-(1,3-benzodioxol-5-yl)ethylamino]benzoic acid

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]benzoic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]benzoic acid CAS Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]benzoic acid IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]benzoic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H15NO4/c1-10(11-5-6-14-15(8-11)21-9-20-14)17-13-4-2-3-12(7-13)16(18)19/h2-8,10,17H,9H2,1H3,(H,18,19)