(3S)-5-[(2-methoxyphenyl)amino]-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-5-[(2-methoxyphenyl)amino]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3S)-5-(2-methoxyanilino)-3-methyl-5-oxo-pentanoate CAS Name: (3S)-5-(2-methoxyanilino)-3-methyl-5-oxopentanoate IUPAC Name: (3S)-5-(2-methoxyanilino)-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-keto-3-methyl-5-(o-anisidino)valerate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1OC)CC(=O)[O-]

Isomeric SMILES

C[C@@H](CC(=O)NC1=CC=CC=C1OC)CC(=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-9(8-13(16)17)7-12(15)14-10-5-3-4-6-11(10)18-2/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1