disodium 4-[[[(E)-3-(3-methoxy-4-oxidanidyl-phenyl)prop-2-enoyl]amino]methyl]-1-methyl-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: disodium 4-[[[(E)-3-(3-methoxy-4-oxidanidyl-phenyl)prop-2-enoyl]amino]methyl]-1-methyl-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: disodium 4-hydroxy-4-[[[(E)-3-(3-methoxy-4-oxido-phenyl)prop-2-enoyl]amino]methyl]-1-methyl-cyclohexanecarboxylate CAS Name: disodium 4-hydroxy-4-[[[(E)-3-(3-methoxy-4-oxidophenyl)-1-oxoprop-2-enyl]amino]methyl]-1-methyl-1-cyclohexanecarboxylate IUPAC Name: disodium 4-hydroxy-4-[[[(E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]amino]methyl]-1-methylcyclohexane-1-carboxylate Traditional Name: disodium 4-hydroxy-4-[[[(E)-3-(3-methoxy-4-oxido-phenyl)acryloyl]amino]methyl]-1-methyl-cyclohexanecarboxylate Formula: C19H23NNa2O6 MolecularWeight: 407.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)(CNC(=O)C=CC2=CC(=C(C=C2)[O-])OC)O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1(CCC(CC1)(CNC(=O)/C=C/C2=CC(=C(C=C2)[O-])OC)O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H25NO6.2Na/c1-18(17(23)24)7-9-19(25,10-8-18)12-20-16(22)6-4-13-3-5-14(21)15(11-13)26-2;;/h3-6,11,21,25H,7-10,12H2,1-2H3,(H,20,22)(H,23,24);;/q;2*+1/p-2/b6-4+;;