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

Systemtic Name: [(1R)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] adamantane-1-carboxylate Openeye Name: [(1R)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1R)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C26H28ClNO4/c1-31-22-8-7-20(12-21(22)27)28-24(29)23(19-5-3-2-4-6-19)32-25(30)26-13-16-9-17(14-26)11-18(10-16)15-26/h2-8,12,16-18,23H,9-11,13-15H2,1H3,(H,28,29)/t16?,17?,18?,23-,26?/m1/s1