[4-[6-bromanyl-3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate

Systemtic Name: [4-[6-bromanyl-3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate Openeye Name: [4-[3-(benzylamino)-6-bromo-imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid [4-[6-bromo-3-[(phenylmethyl)amino]-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid [4-[3-(benzylamino)-6-bromo-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C29H32BrN3O2 MolecularWeight: 534.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Br)NCC4=CC=CC=C4)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)OC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Br)NCC4=CC=CC=C4)CC(C)(C)C

InChI

InChI=1S/C29H32BrN3O2/c1-20(17-29(2,3)4)16-26(34)35-24-13-10-22(11-14-24)27-28(31-18-21-8-6-5-7-9-21)33-19-23(30)12-15-25(33)32-27/h5-15,19-20,31H,16-18H2,1-4H3