2-[3-(4-cyanophenyl)prop-2-ynyl]-2-ethoxycarbonyl-hexanoic acid

Systemtic Name: 2-[3-(4-cyanophenyl)prop-2-ynyl]-2-ethoxycarbonyl-hexanoic acid Openeye Name: 2-[3-(4-cyanophenyl)prop-2-ynyl]-2-ethoxycarbonyl-hexanoic acid CAS Name: 2-[3-(4-cyanophenyl)prop-2-ynyl]-2-ethoxycarbonylhexanoic acid IUPAC Name: 2-[3-(4-cyanophenyl)prop-2-ynyl]-2-ethoxycarbonylhexanoic acid Traditional Name: 2-butyl-2-carbethoxy-5-(4-cyanophenyl)pent-4-ynoic acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC#CC1=CC=C(C=C1)C#N)(C(=O)O)C(=O)OCC

Isomeric SMILES

CCCCC(CC#CC1=CC=C(C=C1)C#N)(C(=O)O)C(=O)OCC

InChI

InChI=1S/C19H21NO4/c1-3-5-12-19(17(21)22,18(23)24-4-2)13-6-7-15-8-10-16(14-20)11-9-15/h8-11H,3-5,12-13H2,1-2H3,(H,21,22)