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

Systemtic Name: disodium (Z)-2-[(4-piperazin-1-ylcarbonylphenyl)methyl]-3-propan-2-yl-but-2-enedioate Openeye Name: disodium (Z)-2-isopropyl-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]but-2-enedioate CAS Name: disodium (Z)-2-[[4-[oxo(1-piperazinyl)methyl]phenyl]methyl]-3-propan-2-yl-2-butenedioate IUPAC Name: disodium (Z)-2-[[4-(piperazine-1-carbonyl)phenyl]methyl]-3-propan-2-ylbut-2-enedioate Traditional Name: disodium (Z)-2-isopropyl-3-[4-(piperazine-1-carbonyl)benzyl]but-2-enedioate Formula: C19H22N2Na2O5 MolecularWeight: 404.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CC=C(C=C1)C(=O)N2CCNCC2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)/C(=C(\CC1=CC=C(C=C1)C(=O)N2CCNCC2)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H24N2O5.2Na/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);;/q;2*+1/p-2/b16-15-;;