[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: 3-(phenylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: 3-benzal-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C32H32N2O3 MolecularWeight: 492.60808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=CC=C4)C(=O)OCC(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=CC=C4)C(=O)OCC(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C32H32N2O3/c35-28(34-32-16-21-12-22(17-32)14-23(13-21)18-32)19-37-31(36)29-25-8-4-5-9-27(25)33-30-24(10-11-26(29)30)15-20-6-2-1-3-7-20/h1-9,15,21-23H,10-14,16-19H2,(H,34,35)