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

Systemtic Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxidanylidene-propyl]-4,6-dimethyl-benzoic acid Openeye Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-propyl]-4,6-dimethyl-benzoic acid CAS Name: 2-[3-[4-(4-methoxyphenyl)-1-piperazinyl]-2,2-dimethyl-3-oxopropyl]-4,6-dimethylbenzoic acid IUPAC Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropyl]-4,6-dimethylbenzoic acid Traditional Name: 2-[3-keto-3-[4-(4-methoxyphenyl)piperazino]-2,2-dimethyl-propyl]-4,6-dimethyl-benzoic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-17-14-18(2)22(23(28)29)19(15-17)16-25(3,4)24(30)27-12-10-26(11-13-27)20-6-8-21(31-5)9-7-20/h6-9,14-15H,10-13,16H2,1-5H3,(H,28,29)