[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(5-chloro-2-methoxy-phenyl)acetate CAS Name: 2-(5-chloro-2-methoxyphenyl)acetic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate Traditional Name: 2-(5-chloro-2-methoxy-phenyl)acetic acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C22H28ClNO4/c1-13(28-20(25)9-17-8-18(23)3-4-19(17)27-2)21(26)24-22-10-14-5-15(11-22)7-16(6-14)12-22/h3-4,8,13-16H,5-7,9-12H2,1-2H3,(H,24,26)/t13-,14?,15?,16?,22?/m0/s1