2-[3-[4-(4-ethoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxidanylidene-propyl]-4,6-dimethyl-benzoic acid

Systemtic Name: 2-[3-[4-(4-ethoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxidanylidene-propyl]-4,6-dimethyl-benzoic acid Openeye Name: 2-[3-[4-(4-ethoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-propyl]-4,6-dimethyl-benzoic acid CAS Name: 2-[3-[4-(4-ethoxyphenyl)-1-piperazinyl]-2,2-dimethyl-3-oxopropyl]-4,6-dimethylbenzoic acid IUPAC Name: 2-[3-[4-(4-ethoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropyl]-4,6-dimethylbenzoic acid Traditional Name: 2-[3-keto-2,2-dimethyl-3-(4-p-phenetylpiperazino)propyl]-4,6-dimethyl-benzoic acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(C)(C)CC3=CC(=CC(=C3C(=O)O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(C)(C)CC3=CC(=CC(=C3C(=O)O)C)C

InChI

InChI=1S/C26H34N2O4/c1-6-32-22-9-7-21(8-10-22)27-11-13-28(14-12-27)25(31)26(4,5)17-20-16-18(2)15-19(3)23(20)24(29)30/h7-10,15-16H,6,11-14,17H2,1-5H3,(H,29,30)