6-[[5,5-dimethyl-2-(2-naphthalen-1-ylethanoyl)-3-oxidanylidene-cyclohexen-1-yl]amino]hexanoic acid

Systemtic Name: 6-[[5,5-dimethyl-2-(2-naphthalen-1-ylethanoyl)-3-oxidanylidene-cyclohexen-1-yl]amino]hexanoic acid Openeye Name: 6-[[5,5-dimethyl-2-[2-(1-naphthyl)acetyl]-3-oxo-cyclohexen-1-yl]amino]hexanoic acid CAS Name: 6-[[5,5-dimethyl-2-[2-(1-naphthalenyl)-1-oxoethyl]-3-oxo-1-cyclohexenyl]amino]hexanoic acid IUPAC Name: 6-[[5,5-dimethyl-2-(2-naphthalen-1-ylacetyl)-3-oxocyclohexen-1-yl]amino]hexanoic acid Traditional Name: 6-[[3-keto-5,5-dimethyl-2-[2-(1-naphthyl)acetyl]cyclohexen-1-yl]amino]hexanoic acid Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO4/c1-26(2)16-21(27-14-7-3-4-13-24(30)31)25(23(29)17-26)22(28)15-19-11-8-10-18-9-5-6-12-20(18)19/h5-6,8-12,27H,3-4,7,13-17H2,1-2H3,(H,30,31)