5-[(2-tert-butylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-tert-butylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-tert-butylanilino)-5-oxo-pentanoic acid CAS Name: 5-(2-tert-butylanilino)-5-oxopentanoic acid IUPAC Name: 5-(2-tert-butylanilino)-5-oxopentanoic acid Traditional Name: 5-(2-tert-butylanilino)-5-keto-valeric acid Formula: C15H21NO3 MolecularWeight: 263.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CCCC(=O)O

InChI

InChI=1S/C15H21NO3/c1-15(2,3)11-7-4-5-8-12(11)16-13(17)9-6-10-14(18)19/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,17)(H,18,19)