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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-methyl-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 2-methyl-4-(phenylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-benzal-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C2CC(CC(=CC3=CC=CC=C3)C2=NC4=CC=CC=C41)C

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=C2CC(CC(=CC3=CC=CC=C3)C2=NC4=CC=CC=C41)C

InChI

InChI=1S/C29H32N2O3/c1-4-10-20(3)30-26(32)18-34-29(33)27-23-13-8-9-14-25(23)31-28-22(15-19(2)16-24(27)28)17-21-11-6-5-7-12-21/h5-9,11-14,17,19-20H,4,10,15-16,18H2,1-3H3,(H,30,32)