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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=CC(=C(C=C2)O)O

InChI

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