4-(prop-2-enoylamino)butyl 5-chloranyl-2-[4-(prop-2-enoylamino)butoxy]benzoate

Systemtic Name: 4-(prop-2-enoylamino)butyl 5-chloranyl-2-[4-(prop-2-enoylamino)butoxy]benzoate Openeye Name: 4-(prop-2-enoylamino)butyl 5-chloro-2-[4-(prop-2-enoylamino)butoxy]benzoate CAS Name: 5-chloro-2-[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid 4-(1-oxoprop-2-enylamino)butyl ester IUPAC Name: 4-(prop-2-enoylamino)butyl 5-chloro-2-[4-(prop-2-enoylamino)butoxy]benzoate Traditional Name: 2-(4-acrylamidobutoxy)-5-chloro-benzoic acid 4-acrylamidobutyl ester Formula: C21H27ClN2O5 MolecularWeight: 422.90248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O5/c1-3-19(25)23-11-5-7-13-28-18-10-9-16(22)15-17(18)21(27)29-14-8-6-12-24-20(26)4-2/h3-4,9-10,15H,1-2,5-8,11-14H2,(H,23,25)(H,24,26)