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

Systemtic Name: 3-[[4-methoxy-3-(2-methylpropanoylamino)phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[4-methoxy-3-(2-methylpropanoylamino)-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[4-methoxy-3-[(2-methyl-1-oxopropyl)amino]-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-methoxy-3-(2-methylpropanoylamino)-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-(isobutyrylamino)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C24H25N3O4/c1-16(2)23(28)26-21-13-20(9-10-22(21)31-3)27(15-17-6-5-11-25-14-17)19-8-4-7-18(12-19)24(29)30/h4-14,16H,15H2,1-3H3,(H,26,28)(H,29,30)