4-[(2-azanyl-4,5-dimethyl-phenoxy)methyl]-3-methyl-benzoic acid

Systemtic Name: 4-[(2-azanyl-4,5-dimethyl-phenoxy)methyl]-3-methyl-benzoic acid Openeye Name: 4-[(2-amino-4,5-dimethyl-phenoxy)methyl]-3-methyl-benzoic acid CAS Name: 4-[(2-amino-4,5-dimethylphenoxy)methyl]-3-methylbenzoic acid IUPAC Name: 4-[(2-amino-4,5-dimethylphenoxy)methyl]-3-methylbenzoic acid Traditional Name: 4-[(2-amino-4,5-dimethyl-phenoxy)methyl]-3-methyl-benzoic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)C)N

Isomeric SMILES

CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)C)N

InChI

InChI=1S/C17H19NO3/c1-10-7-15(18)16(8-11(10)2)21-9-14-5-4-13(17(19)20)6-12(14)3/h4-8H,9,18H2,1-3H3,(H,19,20)