3,4,5-tris[4-(prop-2-enoylamino)butoxy]benzoic acid

Systemtic Name: 3,4,5-tris[4-(prop-2-enoylamino)butoxy]benzoic acid Openeye Name: 3,4,5-tris[4-(prop-2-enoylamino)butoxy]benzoic acid CAS Name: 3,4,5-tris[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid IUPAC Name: 3,4,5-tris[4-(prop-2-enoylamino)butoxy]benzoic acid Traditional Name: 3,4,5-tris(4-acrylamidobutoxy)benzoic acid Formula: C28H39N3O8 MolecularWeight: 545.62456

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=CC(=CC(=C1OCCCCNC(=O)C=C)OCCCCNC(=O)C=C)C(=O)O

Isomeric SMILES

C=CC(=O)NCCCCOC1=CC(=CC(=C1OCCCCNC(=O)C=C)OCCCCNC(=O)C=C)C(=O)O

InChI

InChI=1S/C28H39N3O8/c1-4-24(32)29-13-7-10-16-37-22-19-21(28(35)36)20-23(38-17-11-8-14-30-25(33)5-2)27(22)39-18-12-9-15-31-26(34)6-3/h4-6,19-20H,1-3,7-18H2,(H,29,32)(H,30,33)(H,31,34)(H,35,36)