(2S)-4-azanyl-2-[4-(3-methylbutoxy)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-[4-(3-methylbutoxy)phenyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-(4-isopentyloxyphenyl)-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[4-(3-methylbutoxy)phenyl]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-[4-(3-methylbutoxy)phenyl]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-(4-isoamoxyphenyl)-4-keto-butyrate Formula: C15H20NO4- MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(CC(=O)N)C(=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)[C@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C15H21NO4/c1-10(2)7-8-20-12-5-3-11(4-6-12)13(15(18)19)9-14(16)17/h3-6,10,13H,7-9H2,1-2H3,(H2,16,17)(H,18,19)/p-1/t13-/m0/s1