(E)-3-[2-chloranyl-6-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-chloranyl-6-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-chloro-6-(4-isopropylpiperazin-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-chloro-6-(4-propan-2-yl-1-piperazinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-chloro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-chloro-6-(4-isopropylpiperazino)phenyl]acrylic acid Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=C(C(=CC=C2)Cl)C=CC(=O)O

Isomeric SMILES

CC(C)N1CCN(CC1)C2=C(C(=CC=C2)Cl)/C=C/C(=O)O

InChI

InChI=1S/C16H21ClN2O2/c1-12(2)18-8-10-19(11-9-18)15-5-3-4-14(17)13(15)6-7-16(20)21/h3-7,12H,8-11H2,1-2H3,(H,20,21)/b7-6+