1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-4-phenylmethoxy-phenyl]propan-1-one

Systemtic Name: 1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-4-phenylmethoxy-phenyl]propan-1-one Openeye Name: 1-[4-benzyloxy-2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[2-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]-4-phenylmethoxyphenyl]-1-propanone IUPAC Name: 1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-4-phenylmethoxyphenyl]propan-1-one Traditional Name: 1-[4-benzoxy-2-[3-[4-(3,4-dimethylphenyl)piperazino]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)OCC(CN3CCN(CC3)C4=CC(=C(C=C4)C)C)O

Isomeric SMILES

CCC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)OCC(CN3CCN(CC3)C4=CC(=C(C=C4)C)C)O

InChI

InChI=1S/C31H38N2O4/c1-4-30(35)29-13-12-28(36-21-25-8-6-5-7-9-25)19-31(29)37-22-27(34)20-32-14-16-33(17-15-32)26-11-10-23(2)24(3)18-26/h5-13,18-19,27,34H,4,14-17,20-22H2,1-3H3