[1-[3-(dimethylamino)phenyl]-4-oxidanylidene-3-(phenylcarbonyl)-2-piperidin-1-yl-cyclobut-2-en-1-yl] ethanoate

Systemtic Name: [1-[3-(dimethylamino)phenyl]-4-oxidanylidene-3-(phenylcarbonyl)-2-piperidin-1-yl-cyclobut-2-en-1-yl] ethanoate Openeye Name: [3-benzoyl-1-[3-(dimethylamino)phenyl]-4-oxo-2-(1-piperidyl)cyclobut-2-en-1-yl] acetate CAS Name: acetic acid [3-benzoyl-1-[3-(dimethylamino)phenyl]-4-oxo-2-(1-piperidinyl)-1-cyclobut-2-enyl] ester IUPAC Name: [3-benzoyl-1-[3-(dimethylamino)phenyl]-4-oxo-2-piperidin-1-ylcyclobut-2-en-1-yl] acetate Traditional Name: acetic acid [3-benzoyl-1-[3-(dimethylamino)phenyl]-4-keto-2-piperidino-cyclobut-2-en-1-yl] ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C(=C(C1=O)C(=O)C2=CC=CC=C2)N3CCCCC3)C4=CC(=CC=C4)N(C)C

Isomeric SMILES

CC(=O)OC1(C(=C(C1=O)C(=O)C2=CC=CC=C2)N3CCCCC3)C4=CC(=CC=C4)N(C)C

InChI

InChI=1S/C26H28N2O4/c1-18(29)32-26(20-13-10-14-21(17-20)27(2)3)24(28-15-8-5-9-16-28)22(25(26)31)23(30)19-11-6-4-7-12-19/h4,6-7,10-14,17H,5,8-9,15-16H2,1-3H3