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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-benzal-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3/c1-3-21(4-2)29-25(31)18-33-28(32)26-22-14-8-9-16-24(22)30-27-20(13-10-15-23(26)27)17-19-11-6-5-7-12-19/h5-9,11-12,14,16-17,21H,3-4,10,13,15,18H2,1-2H3,(H,29,31)/b20-17+