ethyl (2E)-10-chloranyl-2-[(E)-5-(prop-2-enylamino)pent-2-enylidene]dec-5-ynoate

Systemtic Name: ethyl (2E)-10-chloranyl-2-[(E)-5-(prop-2-enylamino)pent-2-enylidene]dec-5-ynoate Openeye Name: ethyl (2E)-2-[(E)-5-(allylamino)pent-2-enylidene]-10-chloro-dec-5-ynoate CAS Name: (2E)-10-chloro-2-[(E)-5-(prop-2-enylamino)pent-2-enylidene]-5-decynoic acid ethyl ester IUPAC Name: ethyl (2E)-10-chloro-2-[(E)-5-(prop-2-enylamino)pent-2-enylidene]dec-5-ynoate Traditional Name: (2E,4E)-7-(allylamino)-2-(8-chlorooct-3-ynyl)hepta-2,4-dienoic acid ethyl ester Formula: C20H30ClNO2 MolecularWeight: 351.9107

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=CCCNCC=C)CCC#CCCCCCl

Isomeric SMILES

CCOC(=O)/C(=C/C=C/CCNCC=C)/CCC#CCCCCCl

InChI

InChI=1S/C20H30ClNO2/c1-3-17-22-18-13-9-11-15-19(20(23)24-4-2)14-10-7-5-6-8-12-16-21/h3,9,11,15,22H,1,4,6,8,10,12-14,16-18H2,2H3/b11-9+,19-15+