[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [2-[isopropyl(methyl)amino]-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [2-[methyl(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(propan-2-yl)amino]-2-oxoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [2-[isopropyl(methyl)amino]-2-keto-ethyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4

Isomeric SMILES

CC(C)N(C)C(=O)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=CC=C4

InChI

InChI=1S/C23H31NO3/c1-16(2)24(3)20(25)14-27-21(26)23-12-17-9-18(13-23)11-22(10-17,15-23)19-7-5-4-6-8-19/h4-8,16-18H,9-15H2,1-3H3/t17-,18+,22?,23?