[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantyl)ethanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-adamantyl)ethanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3/c1-14-3-5-19(6-4-14)23-21(25)15(2)26-20(24)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18H,7-13H2,1-2H3,(H,23,25)/t15-,16?,17?,18?,22?/m0/s1