methyl 2-[4-[[[4-methyl-3-(pentanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[[4-methyl-3-(pentanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[4-methyl-3-(pentanoylamino)-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[4-methyl-3-(1-oxopentylamino)-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[4-methyl-3-(pentanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[[4-methyl-3-(valerylamino)-2-pyridyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=CN=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CCCCC(=O)NC1=C(C=CN=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C26H29N3O3/c1-4-5-10-23(30)29-24-18(2)15-16-27-25(24)28-17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)26(31)32-3/h6-9,11-16H,4-5,10,17H2,1-3H3,(H,27,28)(H,29,30)