[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(3-methoxybenzoyl)amino]acetate CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]amino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate Traditional Name: 2-(m-anisoylamino)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27NO5/c1-27-18-4-2-3-17(8-18)21(26)23-12-20(25)28-13-19(24)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,14-16H,5-7,9-13H2,1H3,(H,23,26)