1-[2-[(4-ethoxy-4-oxidanylidene-3-phenyl-butyl)amino]propanoyl]azonane-2-carboxylic acid

Systemtic Name: 1-[2-[(4-ethoxy-4-oxidanylidene-3-phenyl-butyl)amino]propanoyl]azonane-2-carboxylic acid Openeye Name: 1-[2-[(4-ethoxy-4-oxo-3-phenyl-butyl)amino]propanoyl]azonane-2-carboxylic acid CAS Name: 1-[2-[(4-ethoxy-4-oxo-3-phenylbutyl)amino]-1-oxopropyl]-2-azonanecarboxylic acid IUPAC Name: 1-[2-[(4-ethoxy-4-oxo-3-phenylbutyl)amino]propanoyl]azonane-2-carboxylic acid Traditional Name: 1-[2-[(4-ethoxy-4-keto-3-phenyl-butyl)amino]propanoyl]azonane-2-carboxylic acid Formula: C24H36N2O5 MolecularWeight: 432.55304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCNC(C)C(=O)N1CCCCCCCC1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCNC(C)C(=O)N1CCCCCCCC1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C24H36N2O5/c1-3-31-24(30)20(19-12-8-7-9-13-19)15-16-25-18(2)22(27)26-17-11-6-4-5-10-14-21(26)23(28)29/h7-9,12-13,18,20-21,25H,3-6,10-11,14-17H2,1-2H3,(H,28,29)