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

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

CC(C(=O)O)NC1=C(C(=O)CCC1)C(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)O)NC1=C(C(=O)CCC1)C(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H21NO4/c1-13(21(25)26)22-17-10-5-11-18(23)20(17)19(24)12-15-8-4-7-14-6-2-3-9-16(14)15/h2-4,6-9,13,22H,5,10-12H2,1H3,(H,25,26)