[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H28ClNO5 MolecularWeight: 421.91442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C22H28ClNO5/c1-13(19(25)24-16-4-5-17(27-2)18(7-16)28-3)29-20(26)21-8-14-6-15(9-21)11-22(23,10-14)12-21/h4-5,7,13-15H,6,8-12H2,1-3H3,(H,24,25)