2-[[4-(1,3-benzodioxol-5-yl)-2-methyl-phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-yl)-2-methyl-phenyl]amino]benzoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-anilino]benzoic acid CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-methylanilino]benzoic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-methylanilino]benzoic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-anilino]benzoic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H17NO4/c1-13-10-14(15-7-9-19-20(11-15)26-12-25-19)6-8-17(13)22-18-5-3-2-4-16(18)21(23)24/h2-11,22H,12H2,1H3,(H,23,24)