[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1R)-2-keto-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)OC)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO4/c1-13(19(23)22-17-4-3-5-18(9-17)25-2)26-20(24)21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,22,23)/t13-,14?,15?,16?,21?/m1/s1