[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C24H31NO5/c1-4-29-22(28)25-20(26)13-30-21(27)24-11-17-8-18(12-24)10-23(9-17,14-24)19-6-5-15(2)16(3)7-19/h5-7,17-18H,4,8-14H2,1-3H3,(H,25,26,28)/t17-,18+,23?,24?