2-[4-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxyphenyl]ethanoate

Systemtic Name: 2-[4-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxyphenyl]ethanoate Openeye Name: 2-[4-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethoxy]phenyl]acetate CAS Name: 2-[4-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetate IUPAC Name: 2-[4-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetate Traditional Name: 2-[4-[(1S)-2-(amylamino)-2-keto-1-methyl-ethoxy]phenyl]acetate Formula: C16H22NO4- MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)OC1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

CCCCCNC(=O)[C@H](C)OC1=CC=C(C=C1)CC(=O)[O-]

InChI

InChI=1S/C16H23NO4/c1-3-4-5-10-17-16(20)12(2)21-14-8-6-13(7-9-14)11-15(18)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,20)(H,18,19)/p-1/t12-/m0/s1