2-[4-methyl-2-[[(3S)-3-methyl-4-(2-phenylethanoyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-methyl-2-[[(3S)-3-methyl-4-(2-phenylethanoyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-methyl-2-[[(3S)-3-methyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[4-methyl-2-[[(3S)-3-methyl-4-(1-oxo-2-phenylethyl)-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-methyl-2-[[(3S)-3-methyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[4-methyl-2-[[(3S)-3-methyl-4-(2-phenylacetyl)piperazino]methyl]phenoxy]acetic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)C)OCC(=O)O

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)C)OCC(=O)O

InChI

InChI=1S/C23H28N2O4/c1-17-8-9-21(29-16-23(27)28)20(12-17)15-24-10-11-25(18(2)14-24)22(26)13-19-6-4-3-5-7-19/h3-9,12,18H,10-11,13-16H2,1-2H3,(H,27,28)/t18-/m0/s1