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

Systemtic Name: 2-ethoxy-3-[4-[2-(7-oxidanylidene-4-phenyl-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(7-keto-4-phenyl-1,4-diazepan-1-yl)ethoxy]phenyl]propionic acid Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2CCN(CCC2=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2CCN(CCC2=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N2O5/c1-2-30-22(24(28)29)18-19-8-10-21(11-9-19)31-17-16-26-15-14-25(13-12-23(26)27)20-6-4-3-5-7-20/h3-11,22H,2,12-18H2,1H3,(H,28,29)