[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H26ClNO3/c23-22-10-14-6-15(11-22)9-21(8-14,13-22)20(26)27-12-19(25)24-18-5-4-16-2-1-3-17(16)7-18/h4-5,7,14-15H,1-3,6,8-13H2,(H,24,25)/t14-,15+,21?,22?