[4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octanoate

Systemtic Name: [4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octanoate Openeye Name: [4-[7-methyl-3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octanoate CAS Name: octanoic acid [4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octanoate Traditional Name: caprylic acid [4-[7-methyl-3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C30H43N3O2 MolecularWeight: 477.68132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=N2)C)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=N2)C)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C30H43N3O2/c1-8-9-10-11-12-13-26(34)35-24-16-14-23(15-17-24)27-28(32-30(6,7)21-29(3,4)5)33-19-18-22(2)20-25(33)31-27/h14-20,32H,8-13,21H2,1-7H3