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

Systemtic Name: 3,5-bis[4-(prop-2-enoylamino)butoxy]benzoic acid Openeye Name: 3,5-bis[4-(prop-2-enoylamino)butoxy]benzoic acid CAS Name: 3,5-bis[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid IUPAC Name: 3,5-bis[4-(prop-2-enoylamino)butoxy]benzoic acid Traditional Name: 3,5-bis(4-acrylamidobutoxy)benzoic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCCNC(=O)C=C

Isomeric SMILES

C=CC(=O)NCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCCNC(=O)C=C

InChI

InChI=1S/C21H28N2O6/c1-3-19(24)22-9-5-7-11-28-17-13-16(21(26)27)14-18(15-17)29-12-8-6-10-23-20(25)4-2/h3-4,13-15H,1-2,5-12H2,(H,22,24)(H,23,25)(H,26,27)