3-chloranyl-4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-chloranyl-4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 3-chloro-4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 3-chloro-4-[4-(4-hexoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-chloro-4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-chloro-4-[4-(4-hexoxyphenyl)piperazino]benzoic acid Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C23H29ClN2O3/c1-2-3-4-5-16-29-20-9-7-19(8-10-20)25-12-14-26(15-13-25)22-11-6-18(23(27)28)17-21(22)24/h6-11,17H,2-5,12-16H2,1H3,(H,27,28)