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

Systemtic Name: 2-[4-cyano-2-[[(3S)-3-methyl-4-(2-phenylethanoyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-cyano-2-[[(3S)-3-methyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[4-cyano-2-[[(3S)-3-methyl-4-(1-oxo-2-phenylethyl)-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-cyano-2-[[(3S)-3-methyl-4-(2-phenylacetyl)piperazin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[4-cyano-2-[[(3S)-3-methyl-4-(2-phenylacetyl)piperazino]methyl]phenoxy]acetic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-17-14-25(9-10-26(17)22(27)12-18-5-3-2-4-6-18)15-20-11-19(13-24)7-8-21(20)30-16-23(28)29/h2-8,11,17H,9-10,12,14-16H2,1H3,(H,28,29)/t17-/m0/s1