4-[3-ethoxy-5-(phenylmethyl)-2-propan-2-yloxy-phenyl]-2,4-bis(oxidanylidene)butanoic acid; N-methylmethanamine

Systemtic Name: 4-[3-ethoxy-5-(phenylmethyl)-2-propan-2-yloxy-phenyl]-2,4-bis(oxidanylidene)butanoic acid; N-methylmethanamine Openeye Name: 4-(5-benzyl-3-ethoxy-2-isopropoxy-phenyl)-2,4-dioxo-butanoic acid; N-methylmethanamine CAS Name: 4-[3-ethoxy-5-(phenylmethyl)-2-propan-2-yloxyphenyl]-2,4-dioxobutanoic acid; N-methylmethanamine IUPAC Name: 4-(5-benzyl-3-ethoxy-2-propan-2-yloxyphenyl)-2,4-dioxobutanoic acid; N-methylmethanamine Traditional Name: 4-(5-benzyl-3-ethoxy-2-isopropoxy-phenyl)-2,4-diketo-butyric acid; dimethylamine Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O)OC(C)C.CNC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O)OC(C)C.CNC

InChI

InChI=1S/C22H24O6.C2H7N/c1-4-27-20-12-16(10-15-8-6-5-7-9-15)11-17(21(20)28-14(2)3)18(23)13-19(24)22(25)26;1-3-2/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,25,26);3H,1-2H3