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(E)-2-[2-(octylamino)-2-oxidanylidene-1-phenyl-ethyl]pent-3-enoic acid

(E)-2-[2-(octylamino)-2-oxidanylidene-1-phenyl-ethyl]pent-3-enoic acid

Systemtic Name:(E)-2-[2-(octylamino)-2-oxidanylidene-1-phenyl-ethyl]pent-3-enoic acid
Openeye Name:(E)-2-[2-(octylamino)-2-oxo-1-phenyl-ethyl]pent-3-enoic acid
CAS Name:(E)-2-[2-(octylamino)-2-oxo-1-phenylethyl]-3-pentenoic acid
IUPAC Name:(E)-2-[2-(octylamino)-2-oxo-1-phenylethyl]pent-3-enoic acid
Traditional Name:(E)-2-[2-keto-2-(octylamino)-1-phenyl-ethyl]pent-3-enoic acid
Formula: C21H31NO3
MolecularWeight: 345.47574
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(C1=CC=CC=C1)C(C=CC)C(=O)O


Isomeric SMILES

CCCCCCCCNC(=O)C(C1=CC=CC=C1)C(/C=C/C)C(=O)O


InChI

InChI=1S/C21H31NO3/c1-3-5-6-7-8-12-16-22-20(23)19(17-14-10-9-11-15-17)18(13-4-2)21(24)25/h4,9-11,13-15,18-19H,3,5-8,12,16H2,1-2H3,(H,22,23)(H,24,25)/b13-4+


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