2,4-bis(oxidanylidene)-4-[5-(phenylmethyl)-2-propan-2-yloxy-phenyl]butanoic acid; methanamine

Systemtic Name: 2,4-bis(oxidanylidene)-4-[5-(phenylmethyl)-2-propan-2-yloxy-phenyl]butanoic acid; methanamine Openeye Name: 4-(5-benzyl-2-isopropoxy-phenyl)-2,4-dioxo-butanoic acid; methanamine CAS Name: 2,4-dioxo-4-[5-(phenylmethyl)-2-propan-2-yloxyphenyl]butanoic acid; methanamine IUPAC Name: 4-(5-benzyl-2-propan-2-yloxyphenyl)-2,4-dioxobutanoic acid; methanamine Traditional Name: 4-(5-benzyl-2-isopropoxy-phenyl)-2,4-diketo-butyric acid; methylamine Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O.CN

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O.CN

InChI

InChI=1S/C20H20O5.CH5N/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24;1-2/h3-9,11,13H,10,12H2,1-2H3,(H,23,24);2H2,1H3