[2-(1-adamantyloxy)-2-oxidanylidene-ethyl] 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate

Systemtic Name: [2-(1-adamantyloxy)-2-oxidanylidene-ethyl] 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate Openeye Name: [2-(1-adamantyloxy)-2-oxo-ethyl] 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid [2-(1-adamantyloxy)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyloxy)-2-oxoethyl] 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propionic acid [2-(1-adamantyloxy)-2-keto-ethyl] ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)OCC(=O)OC23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)O)(C(=O)OCC(=O)OC23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C22H29NO6/c1-21(23,8-13-2-3-17(24)18(25)7-13)20(27)28-12-19(26)29-22-9-14-4-15(10-22)6-16(5-14)11-22/h2-3,7,14-16,24-25H,4-6,8-12,23H2,1H3