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

Systemtic Name: 3-[[2-(2-naphthalen-1-ylethanoyl)-3-oxidanylidene-5-phenyl-cyclohexen-1-yl]amino]propanoic acid Openeye Name: 3-[[2-[2-(1-naphthyl)acetyl]-3-oxo-5-phenyl-cyclohexen-1-yl]amino]propanoic acid CAS Name: 3-[[2-[2-(1-naphthalenyl)-1-oxoethyl]-3-oxo-5-phenyl-1-cyclohexenyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-naphthalen-1-ylacetyl)-3-oxo-5-phenylcyclohexen-1-yl]amino]propanoic acid Traditional Name: 3-[[3-keto-2-[2-(1-naphthyl)acetyl]-5-phenyl-cyclohexen-1-yl]amino]propionic acid Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1NCCC(=O)O)C(=O)CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C(=C1NCCC(=O)O)C(=O)CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO4/c29-24(16-20-11-6-10-19-9-4-5-12-22(19)20)27-23(28-14-13-26(31)32)15-21(17-25(27)30)18-7-2-1-3-8-18/h1-12,21,28H,13-17H2,(H,31,32)