[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=C(C=CC(=C4)Cl)OC

InChI

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