1-(3-bromanyl-2-methyl-4-naphthalen-1-yl-4-oxidanylidene-butanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-bromanyl-2-methyl-4-naphthalen-1-yl-4-oxidanylidene-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-bromo-2-methyl-4-(1-naphthyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-bromo-2-methyl-4-(1-naphthalenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-bromo-2-methyl-4-naphthalen-1-yl-4-oxobutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-bromo-4-keto-2-methyl-4-(1-naphthyl)butanoyl]proline Formula: C20H20BrNO4 MolecularWeight: 418.2811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CC2=CC=CC=C21)Br)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC=CC2=CC=CC=C21)Br)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C20H20BrNO4/c1-12(19(24)22-11-5-10-16(22)20(25)26)17(21)18(23)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,12,16-17H,5,10-11H2,1H3,(H,25,26)