3-[(4-methoxy-3-propan-2-yloxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(4-methoxy-3-propan-2-yloxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-isopropoxy-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[4-methoxy-3-propan-2-yloxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-methoxy-3-propan-2-yloxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-isopropoxy-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

InChI

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