[2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C25H26Cl2N2O3 MolecularWeight: 473.39154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)Cl

InChI

InChI=1S/C25H26Cl2N2O3/c1-15-19(26)12-28-22(21(15)27)29-20(30)13-32-23(31)25-10-16-7-17(11-25)9-24(8-16,14-25)18-5-3-2-4-6-18/h2-6,12,16-17H,7-11,13-14H2,1H3,(H,28,29,30)