sodium 4-[[(Z)-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoate

Systemtic Name: sodium 4-[[(Z)-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoate Openeye Name: sodium 4-[[(Z)-(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoate CAS Name: sodium 4-[[(Z)-(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]butanoate IUPAC Name: sodium 4-[[(Z)-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]butanoate Traditional Name: sodium 4-[[(Z)-(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butyrate Formula: C18H18NNaO4 MolecularWeight: 335.32959

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C(C2=CC=CC=C2)NCCCC(=O)[O-])C=C1.[Na+]

Isomeric SMILES

COC1=CC(=O)/C(=C(/C2=CC=CC=C2)\NCCCC(=O)[O-])/C=C1.[Na+]

InChI

InChI=1S/C18H19NO4.Na/c1-23-14-9-10-15(16(20)12-14)18(13-6-3-2-4-7-13)19-11-5-8-17(21)22;/h2-4,6-7,9-10,12,19H,5,8,11H2,1H3,(H,21,22);/q;+1/p-1/b18-15-;