2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzaldehyde

Systemtic Name: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzaldehyde Openeye Name: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]benzaldehyde CAS Name: 2-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]benzaldehyde IUPAC Name: 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]benzaldehyde Traditional Name: 2-[3-[4-(3,4-dimethylphenyl)piperazino]-2-hydroxy-propoxy]benzaldehyde Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C=O)O)C

InChI

InChI=1S/C22H28N2O3/c1-17-7-8-20(13-18(17)2)24-11-9-23(10-12-24)14-21(26)16-27-22-6-4-3-5-19(22)15-25/h3-8,13,15,21,26H,9-12,14,16H2,1-2H3