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

Systemtic Name: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(4-ethoxycarbonylanilino)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(4-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(4-carbethoxyanilino)-2-keto-ethyl] ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO5/c1-2-28-19(26)16-3-5-17(6-4-16)24-18(25)12-29-20(27)21-8-14-7-15(9-21)11-22(23,10-14)13-21/h3-6,14-15H,2,7-13H2,1H3,(H,24,25)/t14-,15+,21?,22?