N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-4-phenylmethoxy-benzamide

Systemtic Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-benzamide CAS Name: N-[1-(9-bicyclo[3.3.1]nonanyl)-3-pyrrolidinyl]-2-methoxy-5-nitro-4-phenylmethoxybenzamide IUPAC Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-benzamide Formula: C28H35N3O5 MolecularWeight: 493.5946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-])OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-])OCC5=CC=CC=C5

InChI

InChI=1S/C28H35N3O5/c1-35-25-16-26(36-18-19-7-3-2-4-8-19)24(31(33)34)15-23(25)28(32)29-22-13-14-30(17-22)27-20-9-5-10-21(27)12-6-11-20/h2-4,7-8,15-16,20-22,27H,5-6,9-14,17-18H2,1H3,(H,29,32)