3-[(3-methoxy-2-oxidanyl-phenyl)methylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-methoxy-2-oxidanyl-phenyl)methylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-hydroxy-3-methoxy-phenyl)methylamino]-4-methyl-benzoic acid CAS Name: 3-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-methylbenzoic acid IUPAC Name: 3-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-methylbenzoic acid Traditional Name: 3-[(2-hydroxy-3-methoxy-benzyl)amino]-4-methyl-benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NCC2=C(C(=CC=C2)OC)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NCC2=C(C(=CC=C2)OC)O

InChI

InChI=1S/C16H17NO4/c1-10-6-7-11(16(19)20)8-13(10)17-9-12-4-3-5-14(21-2)15(12)18/h3-8,17-18H,9H2,1-2H3,(H,19,20)