ethanoyl (2Z)-7-(4,4-diphenylpiperidin-1-yl)-2-[(3-nitrophenyl)methylidene]heptanoate

Systemtic Name: ethanoyl (2Z)-7-(4,4-diphenylpiperidin-1-yl)-2-[(3-nitrophenyl)methylidene]heptanoate Openeye Name: acetyl (2Z)-7-(4,4-diphenyl-1-piperidyl)-2-[(3-nitrophenyl)methylene]heptanoate CAS Name: (2Z)-7-(4,4-diphenyl-1-piperidinyl)-2-[(3-nitrophenyl)methylidene]heptanoic acid acetyl ester IUPAC Name: acetyl (2Z)-7-(4,4-diphenylpiperidin-1-yl)-2-[(3-nitrophenyl)methylidene]heptanoate Traditional Name: (Z)-2-[5-(4,4-diphenylpiperidino)pentyl]-3-(3-nitrophenyl)acrylic acid acetyl ester Formula: C33H36N2O5 MolecularWeight: 540.64934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])CCCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/CCCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H36N2O5/c1-26(36)40-32(37)28(24-27-12-11-18-31(25-27)35(38)39)13-5-4-10-21-34-22-19-33(20-23-34,29-14-6-2-7-15-29)30-16-8-3-9-17-30/h2-3,6-9,11-12,14-18,24-25H,4-5,10,13,19-23H2,1H3/b28-24-