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2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]amino]benzoic acid

2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]amino]benzoic acid

Systemtic Name:2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]amino]benzoic acid
Openeye Name:2-[4-[2-(3,4-dimethoxyphenyl)ethyl]anilino]benzoic acid
CAS Name:2-[4-[2-(3,4-dimethoxyphenyl)ethyl]anilino]benzoic acid
IUPAC Name:2-[4-[2-(3,4-dimethoxyphenyl)ethyl]anilino]benzoic acid
Traditional Name:2-(4-homoveratrylanilino)benzoic acid
Formula: C23H23NO4
MolecularWeight: 377.43302
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O)OC


Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O)OC


InChI

InChI=1S/C23H23NO4/c1-27-21-14-11-17(15-22(21)28-2)8-7-16-9-12-18(13-10-16)24-20-6-4-3-5-19(20)23(25)26/h3-6,9-15,24H,7-8H2,1-2H3,(H,25,26)


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