[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(phenylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-benzal-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=C3CCCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=C3CCC/C(=C\C4=CC=CC=C4)/C3=NC5=CC=CC=C52

InChI

InChI=1S/C29H29N3O4/c33-25(32-29(35)30-21-12-4-5-13-21)18-36-28(34)26-22-14-6-7-16-24(22)31-27-20(11-8-15-23(26)27)17-19-9-2-1-3-10-19/h1-3,6-7,9-10,14,16-17,21H,4-5,8,11-13,15,18H2,(H2,30,32,33,35)/b20-17+