2-ethoxy-2-methyl-3-[4-[2-(4-methyl-7-oxidanylidene-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-2-methyl-3-[4-[2-(4-methyl-7-oxidanylidene-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-2-methyl-3-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-2-methyl-3-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-2-methyl-3-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(7-keto-4-methyl-1,4-diazepan-1-yl)ethoxy]phenyl]-2-methyl-propionic acid Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(CC1=CC=C(C=C1)OCCN2CCN(CCC2=O)C)C(=O)O

Isomeric SMILES

CCOC(C)(CC1=CC=C(C=C1)OCCN2CCN(CCC2=O)C)C(=O)O

InChI

InChI=1S/C20H30N2O5/c1-4-27-20(2,19(24)25)15-16-5-7-17(8-6-16)26-14-13-22-12-11-21(3)10-9-18(22)23/h5-8H,4,9-15H2,1-3H3,(H,24,25)