[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C22H28ClNO3/c1-2-18(19(25)24-13-15-6-4-3-5-7-15)27-20(26)21-9-16-8-17(10-21)12-22(23,11-16)14-21/h3-7,16-18H,2,8-14H2,1H3,(H,24,25)/t16-,17+,18-,21?,22?/m1/s1