methyl 2-[4-[[[5-bromanyl-3-(butanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[[5-bromanyl-3-(butanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[5-bromo-3-(butanoylamino)-4-methyl-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[5-bromo-4-methyl-3-(1-oxobutylamino)-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[5-bromo-3-(butanoylamino)-4-methylpyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[(5-bromo-3-butyramido-4-methyl-2-pyridyl)amino]methyl]phenyl]benzoic acid methyl ester Formula: C25H26BrN3O3 MolecularWeight: 496.39624

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O3/c1-4-7-22(30)29-23-16(2)21(26)15-28-24(23)27-14-17-10-12-18(13-11-17)19-8-5-6-9-20(19)25(31)32-3/h5-6,8-13,15H,4,7,14H2,1-3H3,(H,27,28)(H,29,30)