[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)OCC

InChI

InChI=1S/C23H31NO6/c1-3-28-18-6-5-17(8-19(18)29-4-2)24-20(25)13-30-21(26)22-9-15-7-16(10-22)12-23(27,11-15)14-22/h5-6,8,15-16,27H,3-4,7,9-14H2,1-2H3,(H,24,25)/t15-,16+,22?,23?