3-[(4-methoxy-3-propoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(4-methoxy-3-propoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[4-methoxy-3-propoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[4-methoxy-3-propoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-methoxy-3-propoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[4-methoxy-3-propoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C23H24N2O4/c1-3-12-29-22-14-20(9-10-21(22)28-2)25(16-17-6-5-11-24-15-17)19-8-4-7-18(13-19)23(26)27/h4-11,13-15H,3,12,16H2,1-2H3,(H,26,27)