4-(prop-2-enoylamino)butyl 3-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]-2-oxidanylidene-propanoate

Systemtic Name: 4-(prop-2-enoylamino)butyl 3-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]-2-oxidanylidene-propanoate Openeye Name: 4-(prop-2-enoylamino)butyl 3-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]-2-oxo-propanoate CAS Name: 3-[3-methoxy-4-[4-(1-oxoprop-2-enylamino)butoxy]phenyl]-2-oxopropanoic acid 4-(1-oxoprop-2-enylamino)butyl ester IUPAC Name: 4-(prop-2-enoylamino)butyl 3-[3-methoxy-4-[4-(prop-2-enoylamino)butoxy]phenyl]-2-oxopropanoate Traditional Name: 3-[4-(4-acrylamidobutoxy)-3-methoxy-phenyl]-2-keto-propionic acid 4-acrylamidobutyl ester Formula: C24H32N2O7 MolecularWeight: 460.52008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O7/c1-4-22(28)25-12-6-8-14-32-20-11-10-18(17-21(20)31-3)16-19(27)24(30)33-15-9-7-13-26-23(29)5-2/h4-5,10-11,17H,1-2,6-9,12-16H2,3H3,(H,25,28)(H,26,29)