(Z)-2-[(4-piperazin-1-ylcarbonylphenyl)methyl]-3-propan-2-yl-but-2-enedioic acid

Systemtic Name: (Z)-2-[(4-piperazin-1-ylcarbonylphenyl)methyl]-3-propan-2-yl-but-2-enedioic acid Openeye Name: (Z)-2-isopropyl-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]but-2-enedioic acid CAS Name: (Z)-2-[[4-[oxo(1-piperazinyl)methyl]phenyl]methyl]-3-propan-2-yl-2-butenedioic acid IUPAC Name: (Z)-2-[[4-(piperazine-1-carbonyl)phenyl]methyl]-3-propan-2-ylbut-2-enedioic acid Traditional Name: (Z)-2-isopropyl-3-[4-(piperazine-1-carbonyl)benzyl]but-2-enedioic acid Formula: C19H24N2O5 MolecularWeight: 360.40426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CC=C(C=C1)C(=O)N2CCNCC2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)/C(=C(\CC1=CC=C(C=C1)C(=O)N2CCNCC2)/C(=O)O)/C(=O)O

InChI

InChI=1S/C19H24N2O5/c1-12(2)16(19(25)26)15(18(23)24)11-13-3-5-14(6-4-13)17(22)21-9-7-20-8-10-21/h3-6,12,20H,7-11H2,1-2H3,(H,23,24)(H,25,26)/b16-15-