3-[(3,4-dimethoxyphenyl)-(1-pyridin-3-ylethyl)amino]benzoic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)-(1-pyridin-3-ylethyl)amino]benzoic acid Openeye Name: 3-[3,4-dimethoxy-N-[1-(3-pyridyl)ethyl]anilino]benzoic acid CAS Name: 3-[3,4-dimethoxy-N-[1-(3-pyridinyl)ethyl]anilino]benzoic acid IUPAC Name: 3-[3,4-dimethoxy-N-(1-pyridin-3-ylethyl)anilino]benzoic acid Traditional Name: 3-[3,4-dimethoxy-N-[1-(3-pyridyl)ethyl]anilino]benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N(C2=CC(=C(C=C2)OC)OC)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C1=CN=CC=C1)N(C2=CC(=C(C=C2)OC)OC)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H22N2O4/c1-15(17-7-5-11-23-14-17)24(18-8-4-6-16(12-18)22(25)26)19-9-10-20(27-2)21(13-19)28-3/h4-15H,1-3H3,(H,25,26)