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

Systemtic Name: methyl 2-[4-[[[3-(butanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[3-(butanoylamino)-4-methyl-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[4-methyl-3-(1-oxobutylamino)-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-(butanoylamino)-4-methylpyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[(3-butyramido-4-methyl-2-pyridyl)amino]methyl]phenyl]benzoic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3/c1-4-7-22(29)28-23-17(2)14-15-26-24(23)27-16-18-10-12-19(13-11-18)20-8-5-6-9-21(20)25(30)31-3/h5-6,8-15H,4,7,16H2,1-3H3,(H,26,27)(H,28,29)