(3S)-3-methyl-5-oxidanylidene-5-[(4-propylphenyl)amino]pentanoate

Systemtic Name: (3S)-3-methyl-5-oxidanylidene-5-[(4-propylphenyl)amino]pentanoate Openeye Name: (3S)-3-methyl-5-oxo-5-(4-propylanilino)pentanoate CAS Name: (3S)-3-methyl-5-oxo-5-(4-propylanilino)pentanoate IUPAC Name: (3S)-3-methyl-5-oxo-5-(4-propylanilino)pentanoate Traditional Name: (3S)-5-keto-3-methyl-5-(4-propylanilino)valerate Formula: C15H20NO3- MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)CC(C)CC(=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C[C@H](C)CC(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-3-4-12-5-7-13(8-6-12)16-14(17)9-11(2)10-15(18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1