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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NCC2=C3C(=CC=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NCC2=C3C(=CC=C2)OCO3

InChI

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