5-[(4-butan-2-ylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-butan-2-ylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-oxo-5-(4-sec-butylanilino)pentanoic acid CAS Name: 5-(4-butan-2-ylanilino)-5-oxopentanoic acid IUPAC Name: 5-(4-butan-2-ylanilino)-5-oxopentanoic acid Traditional Name: 5-keto-5-(4-sec-butylanilino)valeric acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CCCC(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CCCC(=O)O

InChI

InChI=1S/C15H21NO3/c1-3-11(2)12-7-9-13(10-8-12)16-14(17)5-4-6-15(18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H,18,19)