2-[4-[(4-cyanophenyl)-(3-hydroxyphenyl)methyl]-3-methyl-piperazin-1-yl]propanoic acid

Systemtic Name: 2-[4-[(4-cyanophenyl)-(3-hydroxyphenyl)methyl]-3-methyl-piperazin-1-yl]propanoic acid Openeye Name: 2-[4-[(4-cyanophenyl)-(3-hydroxyphenyl)methyl]-3-methyl-piperazin-1-yl]propanoic acid CAS Name: 2-[4-[(4-cyanophenyl)-(3-hydroxyphenyl)methyl]-3-methyl-1-piperazinyl]propanoic acid IUPAC Name: 2-[4-[(4-cyanophenyl)-(3-hydroxyphenyl)methyl]-3-methylpiperazin-1-yl]propanoic acid Traditional Name: 2-[4-[(4-cyanophenyl)-(3-hydroxyphenyl)methyl]-3-methyl-piperazino]propionic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-15-14-24(16(2)22(27)28)10-11-25(15)21(19-4-3-5-20(26)12-19)18-8-6-17(13-23)7-9-18/h3-9,12,15-16,21,26H,10-11,14H2,1-2H3,(H,27,28)