[(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1R)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [(2R)-1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C24H26ClNO3 MolecularWeight: 411.92114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C24H26ClNO3/c1-15(21(27)26-20-8-4-6-18-5-2-3-7-19(18)20)29-22(28)23-10-16-9-17(11-23)13-24(25,12-16)14-23/h2-8,15-17H,9-14H2,1H3,(H,26,27)/t15-,16-,17+,23?,24?/m1/s1