[4-(1-adamantylcarbonylamino)-2-ethyl-6-methyl-pyridin-3-yl] adamantane-1-carboxylate

Systemtic Name: [4-(1-adamantylcarbonylamino)-2-ethyl-6-methyl-pyridin-3-yl] adamantane-1-carboxylate Openeye Name: [4-(adamantane-1-carbonylamino)-2-ethyl-6-methyl-3-pyridyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-[[1-adamantyl(oxo)methyl]amino]-2-ethyl-6-methyl-3-pyridinyl] ester IUPAC Name: [4-(adamantane-1-carbonylamino)-2-ethyl-6-methylpyridin-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-(adamantane-1-carbonylamino)-2-ethyl-6-methyl-3-pyridyl] ester Formula: C30H40N2O3 MolecularWeight: 476.6502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=N1)C)NC(=O)C23CC4CC(C2)CC(C4)C3)OC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCC1=C(C(=CC(=N1)C)NC(=O)C23CC4CC(C2)CC(C4)C3)OC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H40N2O3/c1-3-24-26(35-28(34)30-14-21-8-22(15-30)10-23(9-21)16-30)25(4-17(2)31-24)32-27(33)29-11-18-5-19(12-29)7-20(6-18)13-29/h4,18-23H,3,5-16H2,1-2H3,(H,31,32,33)