4-oxidanylidene-2-(4-phenoxypiperazin-1-yl)-4-(4-propan-2-ylphenyl)butanoic acid

Systemtic Name: 4-oxidanylidene-2-(4-phenoxypiperazin-1-yl)-4-(4-propan-2-ylphenyl)butanoic acid Openeye Name: 4-(4-isopropylphenyl)-4-oxo-2-(4-phenoxypiperazin-1-yl)butanoic acid CAS Name: 4-oxo-2-(4-phenoxy-1-piperazinyl)-4-(4-propan-2-ylphenyl)butanoic acid IUPAC Name: 4-oxo-2-(4-phenoxypiperazin-1-yl)-4-(4-propan-2-ylphenyl)butanoic acid Traditional Name: 4-keto-4-p-cumenyl-2-(4-phenoxypiperazino)butyric acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)N2CCN(CC2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)N2CCN(CC2)OC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4/c1-17(2)18-8-10-19(11-9-18)22(26)16-21(23(27)28)24-12-14-25(15-13-24)29-20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3,(H,27,28)