2,5-dimethoxy-3-nitro-1-[2-[5-[3-(oxan-2-yloxy)phenyl]-2-prop-2-enyl-phenoxy]ethyl]piperidine

Systemtic Name: 2,5-dimethoxy-3-nitro-1-[2-[5-[3-(oxan-2-yloxy)phenyl]-2-prop-2-enyl-phenoxy]ethyl]piperidine Openeye Name: 1-[2-[2-allyl-5-(3-tetrahydropyran-2-yloxyphenyl)phenoxy]ethyl]-2,5-dimethoxy-3-nitro-piperidine CAS Name: 2,5-dimethoxy-3-nitro-1-[2-[5-[3-(2-oxanyloxy)phenyl]-2-prop-2-enylphenoxy]ethyl]piperidine IUPAC Name: 2,5-dimethoxy-3-nitro-1-[2-[5-[3-(oxan-2-yloxy)phenyl]-2-prop-2-enylphenoxy]ethyl]piperidine Traditional Name: 1-[2-[2-allyl-5-(3-tetrahydropyran-2-yloxyphenyl)phenoxy]ethyl]-2,5-dimethoxy-3-nitro-piperidine Formula: C29H38N2O7 MolecularWeight: 526.62122

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C(N(C1)CCOC2=C(C=CC(=C2)C3=CC(=CC=C3)OC4CCCCO4)CC=C)OC)[N+](=O)[O-]

Isomeric SMILES

COC1CC(C(N(C1)CCOC2=C(C=CC(=C2)C3=CC(=CC=C3)OC4CCCCO4)CC=C)OC)[N+](=O)[O-]

InChI

InChI=1S/C29H38N2O7/c1-4-8-21-12-13-23(22-9-7-10-24(17-22)38-28-11-5-6-15-37-28)18-27(21)36-16-14-30-20-25(34-2)19-26(31(32)33)29(30)35-3/h4,7,9-10,12-13,17-18,25-26,28-29H,1,5-6,8,11,14-16,19-20H2,2-3H3