disodium (Z)-2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-propan-2-yl-but-2-enedioate

Systemtic Name: disodium (Z)-2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-propan-2-yl-but-2-enedioate Openeye Name: disodium (Z)-2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-isopropyl-but-2-enedioate CAS Name: disodium (Z)-2-[[4-[2-(1-imidazolyl)ethoxy]phenyl]methyl]-3-propan-2-yl-2-butenedioate IUPAC Name: disodium (Z)-2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-propan-2-ylbut-2-enedioate Traditional Name: disodium (Z)-2-[4-(2-imidazol-1-ylethoxy)benzyl]-3-isopropyl-but-2-enedioate Formula: C19H20N2Na2O5 MolecularWeight: 402.35204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CC=C(C=C1)OCCN2C=CN=C2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)/C(=C(\CC1=CC=C(C=C1)OCCN2C=CN=C2)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H22N2O5.2Na/c1-13(2)17(19(24)25)16(18(22)23)11-14-3-5-15(6-4-14)26-10-9-21-8-7-20-12-21;;/h3-8,12-13H,9-11H2,1-2H3,(H,22,23)(H,24,25);;/q;2*+1/p-2/b17-16-;;