methyl 4-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-methyl-benzoate

Systemtic Name: methyl 4-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-methyl-benzoate Openeye Name: methyl 4-[(3,4-dihydroxyphenyl)methylamino]-3-methyl-benzoate CAS Name: 4-[(3,4-dihydroxyphenyl)methylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[(3,4-dihydroxyphenyl)methylamino]-3-methylbenzoate Traditional Name: 3-methyl-4-(protocatechuylamino)benzoic acid methyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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