4-(prop-2-enoylamino)butyl 2-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]-2-oxidanyl-ethanoate

Systemtic Name: 4-(prop-2-enoylamino)butyl 2-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]-2-oxidanyl-ethanoate Openeye Name: 4-(prop-2-enoylamino)butyl 2-hydroxy-2-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]acetate CAS Name: 2-hydroxy-2-[3-methoxy-4-[4-(1-oxoprop-2-enylamino)butoxy]phenyl]acetic acid 4-(1-oxoprop-2-enylamino)butyl ester IUPAC Name: 4-(prop-2-enoylamino)butyl 2-hydroxy-2-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]acetate Traditional Name: 2-[4-(4-acrylamidobutoxy)-3-methoxy-phenyl]-2-hydroxy-acetic acid 4-acrylamidobutyl ester Formula: C23H32N2O7 MolecularWeight: 448.50938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)OCCCCNC(=O)C=C)O)OCCCCNC(=O)C=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)OCCCCNC(=O)C=C)O)OCCCCNC(=O)C=C

InChI

InChI=1S/C23H32N2O7/c1-4-20(26)24-12-6-8-14-31-18-11-10-17(16-19(18)30-3)22(28)23(29)32-15-9-7-13-25-21(27)5-2/h4-5,10-11,16,22,28H,1-2,6-9,12-15H2,3H3,(H,24,26)(H,25,27)