3-[[2-(2-naphthalen-1-ylethanoyl)-3-oxidanylidene-cyclohexen-1-yl]amino]propanoic acid

Systemtic Name: 3-[[2-(2-naphthalen-1-ylethanoyl)-3-oxidanylidene-cyclohexen-1-yl]amino]propanoic acid Openeye Name: 3-[[2-[2-(1-naphthyl)acetyl]-3-oxo-cyclohexen-1-yl]amino]propanoic acid CAS Name: 3-[[2-[2-(1-naphthalenyl)-1-oxoethyl]-3-oxo-1-cyclohexenyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-naphthalen-1-ylacetyl)-3-oxocyclohexen-1-yl]amino]propanoic acid Traditional Name: 3-[[3-keto-2-[2-(1-naphthyl)acetyl]cyclohexen-1-yl]amino]propionic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C(=O)CC2=CC=CC3=CC=CC=C32)NCCC(=O)O

Isomeric SMILES

C1CC(=C(C(=O)C1)C(=O)CC2=CC=CC3=CC=CC=C32)NCCC(=O)O

InChI

InChI=1S/C21H21NO4/c23-18-10-4-9-17(22-12-11-20(25)26)21(18)19(24)13-15-7-3-6-14-5-1-2-8-16(14)15/h1-3,5-8,22H,4,9-13H2,(H,25,26)