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

Systemtic Name: disodium 1-[(E)-3-(4-methoxy-3-oxidanidyl-phenyl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: disodium 1-[(E)-3-(4-methoxy-3-oxido-phenyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: disodium 1-[(E)-3-(4-methoxy-3-oxidophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylate IUPAC Name: disodium 1-[(E)-3-(4-methoxy-3-oxidophenyl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: disodium 1-[(E)-3-(4-methoxy-3-oxido-phenyl)acryloyl]isonipecotate Formula: C16H17NNa2O5 MolecularWeight: 349.28942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCC(CC2)C(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C16H19NO5.2Na/c1-22-14-4-2-11(10-13(14)18)3-5-15(19)17-8-6-12(7-9-17)16(20)21;;/h2-5,10,12,18H,6-9H2,1H3,(H,20,21);;/q;2*+1/p-2/b5-3+;;