[2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-keto-2-[methyl(o-anisyl)amino]ethyl] ester Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1OC)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1OC)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C22H28ClNO4/c1-24(12-17-5-3-4-6-18(17)27-2)19(25)13-28-20(26)21-8-15-7-16(9-21)11-22(23,10-15)14-21/h3-6,15-16H,7-14H2,1-2H3/t15-,16+,21?,22?