3-[[1-[2,6-bis(oxidanylidene)cyclohexylidene]-2-naphthalen-1-yl-ethyl]amino]propanoic acid

Systemtic Name: 3-[[1-[2,6-bis(oxidanylidene)cyclohexylidene]-2-naphthalen-1-yl-ethyl]amino]propanoic acid Openeye Name: 3-[[1-(2,6-dioxocyclohexylidene)-2-(1-naphthyl)ethyl]amino]propanoic acid CAS Name: 3-[[1-(2,6-dioxocyclohexylidene)-2-(1-naphthalenyl)ethyl]amino]propanoic acid IUPAC Name: 3-[[1-(2,6-dioxocyclohexylidene)-2-naphthalen-1-ylethyl]amino]propanoic acid Traditional Name: 3-[[1-(2,6-diketocyclohexylidene)-2-(1-naphthyl)ethyl]amino]propionic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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