3-[[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-(9-azaspiro[5.5]undecane-3-carbonyl)benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[9-azaspiro[5.5]undecan-3-yl(oxo)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-(9-azaspiro[5.5]undecane-3-carbonyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[3-(9-azaspiro[5.5]undecane-3-carbonyl)benzoyl]amino]propionic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C(=O)C3=CC(=CC=C3)C(=O)NCCC(=O)O)CCNCC2

Isomeric SMILES

C1CC2(CCC1C(=O)C3=CC(=CC=C3)C(=O)NCCC(=O)O)CCNCC2

InChI

InChI=1S/C21H28N2O4/c24-18(25)6-11-23-20(27)17-3-1-2-16(14-17)19(26)15-4-7-21(8-5-15)9-12-22-13-10-21/h1-3,14-15,22H,4-13H2,(H,23,27)(H,24,25)