3-[[5,5-dimethyl-2-(2-naphthalen-1-ylethanoyl)-3-oxidanylidene-cyclohexen-1-yl]amino]propanoic acid

Systemtic Name: 3-[[5,5-dimethyl-2-(2-naphthalen-1-ylethanoyl)-3-oxidanylidene-cyclohexen-1-yl]amino]propanoic acid Openeye Name: 3-[[5,5-dimethyl-2-[2-(1-naphthyl)acetyl]-3-oxo-cyclohexen-1-yl]amino]propanoic acid CAS Name: 3-[[5,5-dimethyl-2-[2-(1-naphthalenyl)-1-oxoethyl]-3-oxo-1-cyclohexenyl]amino]propanoic acid IUPAC Name: 3-[[5,5-dimethyl-2-(2-naphthalen-1-ylacetyl)-3-oxocyclohexen-1-yl]amino]propanoic acid Traditional Name: 3-[[3-keto-5,5-dimethyl-2-[2-(1-naphthyl)acetyl]cyclohexen-1-yl]amino]propionic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC3=CC=CC=C32)NCCC(=O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)CC2=CC=CC3=CC=CC=C32)NCCC(=O)O)C

InChI

InChI=1S/C23H25NO4/c1-23(2)13-18(24-11-10-21(27)28)22(20(26)14-23)19(25)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,24H,10-14H2,1-2H3,(H,27,28)