[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H27NO3/c1-12-4-3-5-18(6-12)22-20(23)13(2)25-21(24)19-16-8-14-7-15(10-16)11-17(19)9-14/h3-6,13-17,19H,7-11H2,1-2H3,(H,22,23)/t13-,14?,15?,16?,17?,19?/m0/s1