sodium 4,4-bis[4-[4-(prop-2-enoylamino)butoxy]phenyl]butanoate

Systemtic Name: sodium 4,4-bis[4-[4-(prop-2-enoylamino)butoxy]phenyl]butanoate Openeye Name: sodium 4,4-bis[4-[4-(prop-2-enoylamino)butoxy]phenyl]butanoate CAS Name: sodium 4,4-bis[4-[4-(1-oxoprop-2-enylamino)butoxy]phenyl]butanoate IUPAC Name: sodium 4,4-bis[4-[4-(prop-2-enoylamino)butoxy]phenyl]butanoate Traditional Name: sodium 4,4-bis[4-(4-acrylamidobutoxy)phenyl]butyrate Formula: C30H37N2NaO6 MolecularWeight: 544.61435

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=CC=C(C=C1)C(CCC(=O)[O-])C2=CC=C(C=C2)OCCCCNC(=O)C=C.[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=CC=C(C=C1)C(CCC(=O)[O-])C2=CC=C(C=C2)OCCCCNC(=O)C=C.[Na+]

InChI

InChI=1S/C30H38N2O6.Na/c1-3-28(33)31-19-5-7-21-37-25-13-9-23(10-14-25)27(17-18-30(35)36)24-11-15-26(16-12-24)38-22-8-6-20-32-29(34)4-2;/h3-4,9-16,27H,1-2,5-8,17-22H2,(H,31,33)(H,32,34)(H,35,36);/q;+1/p-1