[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H33NO5 MolecularWeight: 415.52252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C24H33NO5/c1-28-20-5-3-16(10-21(20)29-2)4-6-23(27)30-14-22(26)25-15-24-11-17-7-18(12-24)9-19(8-17)13-24/h3,5,10,17-19H,4,6-9,11-15H2,1-2H3,(H,25,26)