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

Systemtic Name: methyl 2-[4-[[[5-bromanyl-4-methyl-3-(pentanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[5-bromo-4-methyl-3-(pentanoylamino)-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[5-bromo-4-methyl-3-(1-oxopentylamino)-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[5-bromo-4-methyl-3-(pentanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[[5-bromo-4-methyl-3-(valerylamino)-2-pyridyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C26H28BrN3O3 MolecularWeight: 510.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrN3O3/c1-4-5-10-23(31)30-24-17(2)22(27)16-29-25(24)28-15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)26(32)33-3/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H,28,29)(H,30,31)