[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C22H28ClNO4/c1-27-18-4-2-15(3-5-18)6-7-24-19(25)13-28-20(26)21-9-16-8-17(10-21)12-22(23,11-16)14-21/h2-5,16-17H,6-14H2,1H3,(H,24,25)/t16-,17+,21?,22?