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

Systemtic Name: disodium 4-[[(E)-3-(3-methoxy-4-oxidanidyl-phenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Openeye Name: disodium 4-[[(E)-3-(3-methoxy-4-oxido-phenyl)prop-2-enoyl]amino]cyclohexanecarboxylate CAS Name: disodium 4-[[(E)-3-(3-methoxy-4-oxidophenyl)-1-oxoprop-2-enyl]amino]-1-cyclohexanecarboxylate IUPAC Name: disodium 4-[[(E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Traditional Name: disodium 4-[[(E)-3-(3-methoxy-4-oxido-phenyl)acryloyl]amino]cyclohexanecarboxylate Formula: C17H19NNa2O5 MolecularWeight: 363.316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2CCC(CC2)C(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2CCC(CC2)C(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C17H21NO5.2Na/c1-23-15-10-11(2-8-14(15)19)3-9-16(20)18-13-6-4-12(5-7-13)17(21)22;;/h2-3,8-10,12-13,19H,4-7H2,1H3,(H,18,20)(H,21,22);;/q;2*+1/p-2/b9-3+;;