3-[4-(3-butoxy-3-oxidanylidene-propoxy)phenyl]-2-ethoxy-propanoic acid; 4-methylpentan-1-amine

Systemtic Name: 3-[4-(3-butoxy-3-oxidanylidene-propoxy)phenyl]-2-ethoxy-propanoic acid; 4-methylpentan-1-amine Openeye Name: 3-[4-(3-butoxy-3-oxo-propoxy)phenyl]-2-ethoxy-propanoic acid; 4-methylpentan-1-amine CAS Name: 3-[4-(3-butoxy-3-oxopropoxy)phenyl]-2-ethoxypropanoic acid; 4-methyl-1-pentanamine IUPAC Name: 3-[4-(3-butoxy-3-oxopropoxy)phenyl]-2-ethoxypropanoic acid; 4-methylpentan-1-amine Traditional Name: 3-[4-(3-butoxy-3-keto-propoxy)phenyl]-2-ethoxy-propionic acid; isohexylamine Formula: C24H41NO6 MolecularWeight: 439.58544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCN

Isomeric SMILES

CCCCOC(=O)CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCN

InChI

InChI=1S/C18H26O6.C6H15N/c1-3-5-11-24-17(19)10-12-23-15-8-6-14(7-9-15)13-16(18(20)21)22-4-2;1-6(2)4-3-5-7/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,21);6H,3-5,7H2,1-2H3