[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C22H27NO6/c1-13-3-4-16(19(25)28-2)6-17(13)23-18(24)11-29-20(26)21-7-14-5-15(8-21)10-22(27,9-14)12-21/h3-4,6,14-15,27H,5,7-12H2,1-2H3,(H,23,24)/t14-,15+,21?,22?