5-azanyl-2-[butyl(phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[butyl(phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-(N-butylanilino)-5-oxo-pentanoic acid CAS Name: 5-amino-2-(N-butylanilino)-5-oxopentanoic acid IUPAC Name: 5-amino-2-(N-butylanilino)-5-oxopentanoic acid Traditional Name: 5-amino-2-(N-butylanilino)-5-keto-valeric acid Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(CCC(=O)N)C(=O)O

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(CCC(=O)N)C(=O)O

InChI

InChI=1S/C15H22N2O3/c1-2-3-11-17(12-7-5-4-6-8-12)13(15(19)20)9-10-14(16)18/h4-8,13H,2-3,9-11H2,1H3,(H2,16,18)(H,19,20)