[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C22H27ClN2O5 MolecularWeight: 434.91318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C22H27ClN2O5/c1-13(26)25-22-9-14-5-15(10-22)8-21(7-14,12-22)20(28)30-11-19(27)24-16-3-4-18(29-2)17(23)6-16/h3-4,6,14-15H,5,7-12H2,1-2H3,(H,24,27)(H,25,26)