3-(4,4-diphenylpiperidin-1-yl)propyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 3-(4,4-diphenylpiperidin-1-yl)propyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 3-(4,4-diphenyl-1-piperidyl)propyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 3-(4,4-diphenyl-1-piperidinyl)propyl ester IUPAC Name: 3-(4,4-diphenylpiperidin-1-yl)propyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 3-(4,4-diphenylpiperidino)propyl ester Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H32N2O5/c1-24(34)29(23-25-10-8-15-28(22-25)33(36)37)30(35)38-21-9-18-32-19-16-31(17-20-32,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-8,10-15,22-23H,9,16-21H2,1H3/b29-23+