4-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-ylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-ylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-[2-benzyloxy-1-(benzyloxymethyl)ethoxy]-1-[[2-benzyloxy-1-(benzyloxymethyl)ethoxy]methyl]ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-ylamino]-4-oxobutanoic acid IUPAC Name: 4-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-ylamino]-4-oxobutanoic acid Traditional Name: 4-[[2-[2-benzoxy-1-(benzoxymethyl)ethoxy]-1-[[2-benzoxy-1-(benzoxymethyl)ethoxy]methyl]ethyl]amino]-4-keto-butyric acid Formula: C41H49NO9 MolecularWeight: 699.82906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCC(COC(COCC3=CC=CC=C3)COCC4=CC=CC=C4)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCC(COC(COCC3=CC=CC=C3)COCC4=CC=CC=C4)NC(=O)CCC(=O)O

InChI

InChI=1S/C41H49NO9/c43-40(21-22-41(44)45)42-37(27-50-38(29-46-23-33-13-5-1-6-14-33)30-47-24-34-15-7-2-8-16-34)28-51-39(31-48-25-35-17-9-3-10-18-35)32-49-26-36-19-11-4-12-20-36/h1-20,37-39H,21-32H2,(H,42,43)(H,44,45)