(3S)-3-methyl-5-oxidanylidene-5-[(4-propoxyphenyl)amino]pentanoic acid

Systemtic Name: (3S)-3-methyl-5-oxidanylidene-5-[(4-propoxyphenyl)amino]pentanoic acid Openeye Name: (3S)-3-methyl-5-oxo-5-(4-propoxyanilino)pentanoic acid CAS Name: (3S)-3-methyl-5-oxo-5-(4-propoxyanilino)pentanoic acid IUPAC Name: (3S)-3-methyl-5-oxo-5-(4-propoxyanilino)pentanoic acid Traditional Name: (3S)-5-keto-3-methyl-5-(4-propoxyanilino)valeric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)CC(C)CC(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)C[C@H](C)CC(=O)O

InChI

InChI=1S/C15H21NO4/c1-3-8-20-13-6-4-12(5-7-13)16-14(17)9-11(2)10-15(18)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1