N-[3-(4-chlorophenyl)prop-2-ynoxy]heptan-3-imine; ethanedioic acid

Systemtic Name: N-[3-(4-chlorophenyl)prop-2-ynoxy]heptan-3-imine; ethanedioic acid Openeye Name: N-[3-(4-chlorophenyl)prop-2-ynoxy]heptan-3-imine; oxalic acid CAS Name: N-[3-(4-chlorophenyl)prop-2-ynoxy]-3-heptanimine; oxalic acid IUPAC Name: N-[3-(4-chlorophenyl)prop-2-ynoxy]heptan-3-imine; oxalic acid Traditional Name: (Z)-3-(4-chlorophenyl)prop-2-ynoxy-(1-ethylpentylidene)amine; oxalic acid Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NOCC#CC1=CC=C(C=C1)Cl)CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC/C(=N\OCC#CC1=CC=C(C=C1)Cl)/CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20ClNO.C2H2O4/c1-3-5-8-16(4-2)18-19-13-6-7-14-9-11-15(17)12-10-14;3-1(4)2(5)6/h9-12H,3-5,8,13H2,1-2H3;(H,3,4)(H,5,6)/b18-16-;