1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(2-furylmethoxy)propan-2-ol; oxalic acid CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(2-furanylmethoxy)-2-propanol; oxalic acid IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol; oxalic acid Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(2-furfuryloxy)propan-2-ol; oxalic acid Formula: C21H27ClN2O7 MolecularWeight: 454.90128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COCC3=CC=CO3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COCC3=CC=CO3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25ClN2O3.C2H2O4/c1-15-4-5-16(20)11-19(15)22-8-6-21(7-9-22)12-17(23)13-24-14-18-3-2-10-25-18;3-1(4)2(5)6/h2-5,10-11,17,23H,6-9,12-14H2,1H3;(H,3,4)(H,5,6)