4-[(5-methoxy-2-oxidanyl-phenyl)methylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(5-methoxy-2-oxidanyl-phenyl)methylamino]-3-methyl-benzoic acid Openeye Name: 4-[(2-hydroxy-5-methoxy-phenyl)methylamino]-3-methyl-benzoic acid CAS Name: 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-3-methylbenzoic acid IUPAC Name: 4-[(2-hydroxy-5-methoxyphenyl)methylamino]-3-methylbenzoic acid Traditional Name: 4-[(2-hydroxy-5-methoxy-benzyl)amino]-3-methyl-benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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