sodium 2-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]-2-oxidanyl-propanoate

Systemtic Name: sodium 2-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]-2-oxidanyl-propanoate Openeye Name: sodium 2-hydroxy-2-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate CAS Name: sodium 2-hydroxy-2-[3-methoxy-4-[4-(1-oxoprop-2-enylamino)butoxy]phenyl]propanoate IUPAC Name: sodium 2-hydroxy-2-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate Traditional Name: sodium 2-[4-(4-acrylamidobutoxy)-3-methoxy-phenyl]-2-hydroxy-propionate Formula: C17H22NNaO6 MolecularWeight: 359.34945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCCCCNC(=O)C=C)OC)(C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCCCCNC(=O)C=C)OC)(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C17H23NO6.Na/c1-4-15(19)18-9-5-6-10-24-13-8-7-12(11-14(13)23-3)17(2,22)16(20)21;/h4,7-8,11,22H,1,5-6,9-10H2,2-3H3,(H,18,19)(H,20,21);/q;+1/p-1