(E)-2-(pentylamino)-6-(phenylcarbonyloxy)hex-3-enoic acid

Systemtic Name: (E)-2-(pentylamino)-6-(phenylcarbonyloxy)hex-3-enoic acid Openeye Name: (E)-6-benzoyloxy-2-(pentylamino)hex-3-enoic acid CAS Name: (E)-6-benzoyloxy-2-(pentylamino)-3-hexenoic acid IUPAC Name: (E)-6-benzoyloxy-2-(pentylamino)hex-3-enoic acid Traditional Name: (E)-2-(amylamino)-6-benzoyloxy-hex-3-enoic acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(C=CCCOC(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCNC(/C=C/CCOC(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H25NO4/c1-2-3-8-13-19-16(17(20)21)12-7-9-14-23-18(22)15-10-5-4-6-11-15/h4-7,10-12,16,19H,2-3,8-9,13-14H2,1H3,(H,20,21)/b12-7+