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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-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-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: 3-benzal-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=C2CCC(=CC3=CC=CC=C3)C2=NC4=CC=CC=C41

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=C2CCC(=CC3=CC=CC=C3)C2=NC4=CC=CC=C41

InChI

InChI=1S/C27H27N3O4/c1-27(2,3)30-26(33)29-22(31)16-34-25(32)23-19-11-7-8-12-21(19)28-24-18(13-14-20(23)24)15-17-9-5-4-6-10-17/h4-12,15H,13-14,16H2,1-3H3,(H2,29,30,31,33)