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

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-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-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-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-keto-2-(2-methoxyethylcarbamoylamino)ethyl] ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC(=O)COC(=O)C1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=CC=CC=C41

Isomeric SMILES

COCCNC(=O)NC(=O)COC(=O)C1=C2CCC/C(=C\C3=CC=CC=C3)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C27H27N3O5/c1-34-15-14-28-27(33)30-23(31)17-35-26(32)24-20-11-5-6-13-22(20)29-25-19(10-7-12-21(24)25)16-18-8-3-2-4-9-18/h2-6,8-9,11,13,16H,7,10,12,14-15,17H2,1H3,(H2,28,30,31,33)/b19-16+