ethyl 3-[3-[[(Z)-1-oxidanylidene-1-phenyl-oct-2-en-3-yl]amino]prop-1-ynyl]benzoate

Systemtic Name: ethyl 3-[3-[[(Z)-1-oxidanylidene-1-phenyl-oct-2-en-3-yl]amino]prop-1-ynyl]benzoate Openeye Name: ethyl 3-[3-[[(1Z)-1-phenacylidenehexyl]amino]prop-1-ynyl]benzoate CAS Name: 3-[3-[[(Z)-1-oxo-1-phenyloct-2-en-3-yl]amino]prop-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[[(Z)-1-oxo-1-phenyloct-2-en-3-yl]amino]prop-1-ynyl]benzoate Traditional Name: 3-[3-[[(Z)-1-amyl-3-keto-3-phenyl-prop-1-enyl]amino]prop-1-ynyl]benzoic acid ethyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC(=O)C1=CC=CC=C1)NCC#CC2=CC(=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC/C(=C/C(=O)C1=CC=CC=C1)/NCC#CC2=CC(=CC=C2)C(=O)OCC

InChI

InChI=1S/C26H29NO3/c1-3-5-7-17-24(20-25(28)22-14-8-6-9-15-22)27-18-11-13-21-12-10-16-23(19-21)26(29)30-4-2/h6,8-10,12,14-16,19-20,27H,3-5,7,17-18H2,1-2H3/b24-20-