2-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-1-(3-nitrophenyl)ethanol

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-1-(3-nitrophenyl)ethanol Openeye Name: 2-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-1-(3-nitrophenyl)ethanol CAS Name: 2-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-1-(3-nitrophenyl)ethanol IUPAC Name: 2-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-1-(3-nitrophenyl)ethanol Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-1-(3-nitrophenyl)ethanol Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC2)CNCC(C3=CC(=CC=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC2)CNCC(C3=CC(=CC=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C22H28N2O5/c1-28-20-9-8-17(13-21(20)29-2)22(10-3-4-11-22)15-23-14-19(25)16-6-5-7-18(12-16)24(26)27/h5-9,12-13,19,23,25H,3-4,10-11,14-15H2,1-2H3