(Z)-2-methylbut-2-enedioic acid; 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazin-1-yl]ethanol

Systemtic Name: (Z)-2-methylbut-2-enedioic acid; 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazin-1-yl]ethanol Openeye Name: (Z)-2-methylbut-2-enedioic acid; 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazin-1-yl]ethanol CAS Name: (Z)-2-methyl-2-butenedioic acid; 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1-piperazinyl]ethanol IUPAC Name: (Z)-2-methylbut-2-enedioic acid; 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazin-1-yl]ethanol Traditional Name: citraconic acid; 2-[4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-3-yl)piperazino]ethanol Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)O.C1CCC2=C(CC1)C=C(C=C2)N3CCN(CC3)CCO

Isomeric SMILES

C/C(=C/C(=O)O)/C(=O)O.C1CCC2=C(CC1)C=C(C=C2)N3CCN(CC3)CCO

InChI

InChI=1S/C17H26N2O.C5H6O4/c20-13-12-18-8-10-19(11-9-18)17-7-6-15-4-2-1-3-5-16(15)14-17;1-3(5(8)9)2-4(6)7/h6-7,14,20H,1-5,8-13H2;2H,1H3,(H,6,7)(H,8,9)/b;3-2-