[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H26ClNO3/c23-22-11-15-8-16(12-22)10-21(9-15,14-22)20(26)27-13-19(25)24-7-3-5-17-4-1-2-6-18(17)24/h1-2,4,6,15-16H,3,5,7-14H2/t15-,16+,21?,22?