(Z)-2-[2-[(4-methylpiperazin-1-yl)carbonylamino]-3-phenyl-propyl]but-2-enedioic acid

Systemtic Name: (Z)-2-[2-[(4-methylpiperazin-1-yl)carbonylamino]-3-phenyl-propyl]but-2-enedioic acid Openeye Name: (Z)-2-[2-[(4-methylpiperazine-1-carbonyl)amino]-3-phenyl-propyl]but-2-enedioic acid CAS Name: (Z)-2-[2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-3-phenylpropyl]-2-butenedioic acid IUPAC Name: (Z)-2-[2-[(4-methylpiperazine-1-carbonyl)amino]-3-phenylpropyl]but-2-enedioic acid Traditional Name: (Z)-2-[2-[(4-methylpiperazine-1-carbonyl)amino]-3-phenyl-propyl]but-2-enedioic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)CC(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C19H25N3O5/c1-21-7-9-22(10-8-21)19(27)20-16(11-14-5-3-2-4-6-14)12-15(18(25)26)13-17(23)24/h2-6,13,16H,7-12H2,1H3,(H,20,27)(H,23,24)(H,25,26)/b15-13-