heptyl 4-[4-(prop-2-enoylamino)butoxy]benzoate

Systemtic Name: heptyl 4-[4-(prop-2-enoylamino)butoxy]benzoate Openeye Name: heptyl 4-[4-(prop-2-enoylamino)butoxy]benzoate CAS Name: 4-[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid heptyl ester IUPAC Name: heptyl 4-[4-(prop-2-enoylamino)butoxy]benzoate Traditional Name: 4-(4-acrylamidobutoxy)benzoic acid heptyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-3-5-6-7-9-17-26-21(24)18-11-13-19(14-12-18)25-16-10-8-15-22-20(23)4-2/h4,11-14H,2-3,5-10,15-17H2,1H3,(H,22,23)