2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methyl-6-propan-2-yl-benzoic acid

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methyl-6-propan-2-yl-benzoic acid Openeye Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-6-isopropyl-3-methyl-benzoic acid CAS Name: 2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-methyl-6-propan-2-ylbenzoic acid IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-methyl-6-propan-2-ylbenzoic acid Traditional Name: 2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-6-isopropyl-3-methyl-benzoic acid Formula: C24H29ClN2O4 MolecularWeight: 444.95106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)C(=O)O)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)C(=O)O)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H29ClN2O4/c1-16(2)20-9-4-17(3)23(22(20)24(29)30)31-15-21(28)27-12-10-26(11-13-27)14-18-5-7-19(25)8-6-18/h4-9,16H,10-15H2,1-3H3,(H,29,30)