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

Systemtic Name: methyl 2-[4-[[[3-(butanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[3-(butanoylamino)-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[3-(1-oxobutylamino)-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-(butanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[(3-butyramido-2-pyridyl)amino]methyl]phenyl]benzoic acid methyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(N=CC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=C(N=CC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H25N3O3/c1-3-7-22(28)27-21-10-6-15-25-23(21)26-16-17-11-13-18(14-12-17)19-8-4-5-9-20(19)24(29)30-2/h4-6,8-15H,3,7,16H2,1-2H3,(H,25,26)(H,27,28)