(2S)-4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxo-butanoate CAS Name: (2S)-4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxobutanoate IUPAC Name: (2S)-4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxobutanoate Traditional Name: (2S)-4-keto-4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]butyrate Formula: C18H26NO4- MolecularWeight: 320.40334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCOC1=CC=C(C=C1)C(CC(=O)NC)C(=O)[O-]

Isomeric SMILES

CC(C)CCCCOC1=CC=C(C=C1)[C@H](CC(=O)NC)C(=O)[O-]

InChI

InChI=1S/C18H27NO4/c1-13(2)6-4-5-11-23-15-9-7-14(8-10-15)16(18(21)22)12-17(20)19-3/h7-10,13,16H,4-6,11-12H2,1-3H3,(H,19,20)(H,21,22)/p-1/t16-/m0/s1