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

Systemtic Name: 2-ethoxy-3-[4-[3-(4-methyl-7-oxidanylidene-1,4-diazepan-1-yl)propyl]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[3-(4-methyl-7-oxo-1,4-diazepan-1-yl)propyl]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[3-(4-methyl-7-oxo-1,4-diazepan-1-yl)propyl]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[3-(4-methyl-7-oxo-1,4-diazepan-1-yl)propyl]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[3-(7-keto-4-methyl-1,4-diazepan-1-yl)propyl]phenyl]propionic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)CCCN2CCN(CCC2=O)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)CCCN2CCN(CCC2=O)C)C(=O)O

InChI

InChI=1S/C20H30N2O4/c1-3-26-18(20(24)25)15-17-8-6-16(7-9-17)5-4-11-22-14-13-21(2)12-10-19(22)23/h6-9,18H,3-5,10-15H2,1-2H3,(H,24,25)