(2S,3R)-2-[[3-(4-butoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[[3-(4-butoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[3-(4-butoxyphenyl)-3-oxo-propyl]ammonio]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[3-(4-butoxyphenyl)-3-oxopropyl]ammonio]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[3-(4-butoxyphenyl)-3-oxopropyl]azaniumyl]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[3-(4-butoxyphenyl)-3-keto-propyl]ammonio]-3-methyl-valerate Formula: C19H29NO4 MolecularWeight: 335.43786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(C(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CC[NH2+][C@@H]([C@H](C)CC)C(=O)[O-]

InChI

InChI=1S/C19H29NO4/c1-4-6-13-24-16-9-7-15(8-10-16)17(21)11-12-20-18(19(22)23)14(3)5-2/h7-10,14,18,20H,4-6,11-13H2,1-3H3,(H,22,23)/t14-,18+/m1/s1