3-(1,3-benzodioxol-4-ylmethylamino)-2-methyl-benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-4-ylmethylamino)-2-methyl-benzoic acid Openeye Name: 3-(1,3-benzodioxol-4-ylmethylamino)-2-methyl-benzoic acid CAS Name: 3-(1,3-benzodioxol-4-ylmethylamino)-2-methylbenzoic acid IUPAC Name: 3-(1,3-benzodioxol-4-ylmethylamino)-2-methylbenzoic acid Traditional Name: 3-(1,3-benzodioxol-4-ylmethylamino)-2-methyl-benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NCC2=C3C(=CC=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NCC2=C3C(=CC=C2)OCO3)C(=O)O

InChI

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