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

Systemtic Name: methyl 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 2-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 2-[3-[4-(3,4-dimethylphenyl)piperazino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-17-8-9-19(14-18(17)2)25-12-10-24(11-13-25)15-20(26)16-29-22-7-5-4-6-21(22)23(27)28-3/h4-9,14,20,26H,10-13,15-16H2,1-3H3