[3,5-dimethyl-4-(2-pyrrolidin-1-ylpropoxy)phenyl]-(4-nitrophenyl)methanone

Systemtic Name: [3,5-dimethyl-4-(2-pyrrolidin-1-ylpropoxy)phenyl]-(4-nitrophenyl)methanone Openeye Name: [3,5-dimethyl-4-(2-pyrrolidin-1-ylpropoxy)phenyl]-(4-nitrophenyl)methanone CAS Name: [3,5-dimethyl-4-[2-(1-pyrrolidinyl)propoxy]phenyl]-(4-nitrophenyl)methanone IUPAC Name: [3,5-dimethyl-4-(2-pyrrolidin-1-ylpropoxy)phenyl]-(4-nitrophenyl)methanone Traditional Name: [3,5-dimethyl-4-(2-pyrrolidinopropoxy)phenyl]-(4-nitrophenyl)methanone Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(C)N2CCCC2)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC(C)N2CCCC2)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O4/c1-15-12-19(21(25)18-6-8-20(9-7-18)24(26)27)13-16(2)22(15)28-14-17(3)23-10-4-5-11-23/h6-9,12-13,17H,4-5,10-11,14H2,1-3H3