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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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