3-(4,4-diphenylpiperidin-1-yl)propyl (2E)-2-(2,1,3-benzoxadiazol-4-ylmethylidene)-3-oxidanylidene-butanoate

Systemtic Name: 3-(4,4-diphenylpiperidin-1-yl)propyl (2E)-2-(2,1,3-benzoxadiazol-4-ylmethylidene)-3-oxidanylidene-butanoate Openeye Name: 3-(4,4-diphenyl-1-piperidyl)propyl (2E)-2-(2,1,3-benzoxadiazol-4-ylmethylene)-3-oxo-butanoate CAS Name: (2E)-2-(2,1,3-benzoxadiazol-4-ylmethylidene)-3-oxobutanoic acid 3-(4,4-diphenyl-1-piperidinyl)propyl ester IUPAC Name: 3-(4,4-diphenylpiperidin-1-yl)propyl (2E)-2-(2,1,3-benzoxadiazol-4-ylmethylidene)-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-benzofurazan-4-yl-acrylic acid 3-(4,4-diphenylpiperidino)propyl ester Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC2=NON=C21)C(=O)OCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC2=NON=C21)/C(=O)OCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O4/c1-23(35)27(22-24-10-8-15-28-29(24)33-38-32-28)30(36)37-21-9-18-34-19-16-31(17-20-34,25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-8,10-15,22H,9,16-21H2,1H3/b27-22+