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

Systemtic Name: 4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-3-methyl-benzoic acid Openeye Name: 4-[(4-hydroxy-3-methoxy-phenyl)methylamino]-3-methyl-benzoic acid CAS Name: 4-[(4-hydroxy-3-methoxyphenyl)methylamino]-3-methylbenzoic acid IUPAC Name: 4-[(4-hydroxy-3-methoxyphenyl)methylamino]-3-methylbenzoic acid Traditional Name: 3-methyl-4-(vanillylamino)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=CC(=C(C=C2)O)OC

Isomeric SMILES

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

InChI

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