(2R)-4-oxidanylidene-2-(4-phenoxypiperazin-1-ium-1-yl)-4-(4-propan-2-ylphenyl)butanoate

Systemtic Name: (2R)-4-oxidanylidene-2-(4-phenoxypiperazin-1-ium-1-yl)-4-(4-propan-2-ylphenyl)butanoate Openeye Name: (2R)-4-(4-isopropylphenyl)-4-oxo-2-(4-phenoxypiperazin-1-ium-1-yl)butanoate CAS Name: (2R)-4-oxo-2-(4-phenoxy-1-piperazin-1-iumyl)-4-(4-propan-2-ylphenyl)butanoate IUPAC Name: (2R)-4-oxo-2-(4-phenoxypiperazin-1-ium-1-yl)-4-(4-propan-2-ylphenyl)butanoate Traditional Name: (2R)-4-keto-4-p-cumenyl-2-(4-phenoxypiperazin-1-ium-1-yl)butyrate 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-])[NH+]2CCN(CC2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH+]2CCN(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)/t21-/m1/s1