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

Systemtic Name: disodium (Z)-2-[[4-(4-oxidanylpiperidin-1-yl)carbonylphenyl]methyl]-3-propan-2-yl-but-2-enedioate Openeye Name: disodium (Z)-2-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]-3-isopropyl-but-2-enedioate CAS Name: disodium (Z)-2-[[4-[(4-hydroxy-1-piperidinyl)-oxomethyl]phenyl]methyl]-3-propan-2-yl-2-butenedioate IUPAC Name: disodium (Z)-2-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]-3-propan-2-ylbut-2-enedioate Traditional Name: disodium (Z)-2-[4-(4-hydroxypiperidine-1-carbonyl)benzyl]-3-isopropyl-but-2-enedioate Formula: C20H23NNa2O6 MolecularWeight: 419.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CC=C(C=C1)C(=O)N2CCC(CC2)O)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)/C(=C(\CC1=CC=C(C=C1)C(=O)N2CCC(CC2)O)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H25NO6.2Na/c1-12(2)17(20(26)27)16(19(24)25)11-13-3-5-14(6-4-13)18(23)21-9-7-15(22)8-10-21;;/h3-6,12,15,22H,7-11H2,1-2H3,(H,24,25)(H,26,27);;/q;2*+1/p-2/b17-16-;;