(2-benzamido-2-oxidanylidene-ethyl) 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29NO5/c1-32-22-9-7-21(8-10-22)26-12-18-11-19(13-26)15-27(14-18,17-26)25(31)33-16-23(29)28-24(30)20-5-3-2-4-6-20/h2-10,18-19H,11-17H2,1H3,(H,28,29,30)