3-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxidanylidene-propoxy]phenyl]-2-ethoxy-propanoic acid; 4-methylpentan-1-amine

Systemtic Name: 3-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxidanylidene-propoxy]phenyl]-2-ethoxy-propanoic acid; 4-methylpentan-1-amine Openeye Name: 2-ethoxy-3-[4-(3-indan-5-yloxy-3-oxo-propoxy)phenyl]propanoic acid; 4-methylpentan-1-amine CAS Name: 3-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxopropoxy]phenyl]-2-ethoxypropanoic acid; 4-methyl-1-pentanamine IUPAC Name: 3-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxopropoxy]phenyl]-2-ethoxypropanoic acid; 4-methylpentan-1-amine Traditional Name: 2-ethoxy-3-[4-(3-indan-5-yloxy-3-keto-propoxy)phenyl]propionic acid; isohexylamine Formula: C29H41NO6 MolecularWeight: 499.63894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC(=O)OC2=CC3=C(CCC3)C=C2)C(=O)O.CC(C)CCCN

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC(=O)OC2=CC3=C(CCC3)C=C2)C(=O)O.CC(C)CCCN

InChI

InChI=1S/C23H26O6.C6H15N/c1-2-27-21(23(25)26)14-16-6-9-19(10-7-16)28-13-12-22(24)29-20-11-8-17-4-3-5-18(17)15-20;1-6(2)4-3-5-7/h6-11,15,21H,2-5,12-14H2,1H3,(H,25,26);6H,3-5,7H2,1-2H3