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

Systemtic Name: [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-phenylpropanoate Openeye Name: [2-[3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[3-(2,4,4-trimethylpentan-2-ylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-[3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC1=C(N=C2N1C=CC=C2)C3=CC=CC=C3OC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)CC(C)(C)NC1=C(N=C2N1C=CC=C2)C3=CC=CC=C3OC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O2/c1-29(2,3)21-30(4,5)32-28-27(31-25-17-11-12-20-33(25)28)23-15-9-10-16-24(23)35-26(34)19-18-22-13-7-6-8-14-22/h6-17,20,32H,18-19,21H2,1-5H3