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

Systemtic Name: methyl 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-(2,3-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(=CC=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O)C

InChI

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