[3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] adamantane-1-carboxylate

Systemtic Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] adamantane-1-carboxylate Openeye Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-[3-(tert-butylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC(=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC(=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H35N3O2/c1-18-8-9-32-24(10-18)30-25(26(32)31-28(2,3)4)22-6-5-7-23(14-22)34-27(33)29-15-19-11-20(16-29)13-21(12-19)17-29/h5-10,14,19-21,31H,11-13,15-17H2,1-4H3