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

Systemtic Name: methyl 2-[4-[[[5-bromanyl-3-(cyclopropylcarbonylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[5-bromo-3-(cyclopropanecarbonylamino)-4-methyl-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[5-bromo-3-[[cyclopropyl(oxo)methyl]amino]-4-methyl-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[5-bromo-3-(cyclopropanecarbonylamino)-4-methylpyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[[5-bromo-3-(cyclopropanecarbonylamino)-4-methyl-2-pyridyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C25H24BrN3O3 MolecularWeight: 494.38036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1Br)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C(=NC=C1Br)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)NC(=O)C4CC4

InChI

InChI=1S/C25H24BrN3O3/c1-15-21(26)14-28-23(22(15)29-24(30)18-11-12-18)27-13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)25(31)32-2/h3-10,14,18H,11-13H2,1-2H3,(H,27,28)(H,29,30)