ethyl (2S,3S)-3-methanoyl-2-[(4-prop-2-ynoxyphenyl)amino]hexanoate

Systemtic Name: ethyl (2S,3S)-3-methanoyl-2-[(4-prop-2-ynoxyphenyl)amino]hexanoate Openeye Name: ethyl (2S,3S)-3-formyl-2-(4-prop-2-ynoxyanilino)hexanoate CAS Name: (2S,3S)-3-formyl-2-(4-prop-2-ynoxyanilino)hexanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-formyl-2-(4-prop-2-ynoxyanilino)hexanoate Traditional Name: (2S,3S)-3-formyl-2-(4-propargyloxyanilino)hexanoic acid ethyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=O)C(C(=O)OCC)NC1=CC=C(C=C1)OCC#C

Isomeric SMILES

CCC[C@H](C=O)[C@@H](C(=O)OCC)NC1=CC=C(C=C1)OCC#C

InChI

InChI=1S/C18H23NO4/c1-4-7-14(13-20)17(18(21)22-6-3)19-15-8-10-16(11-9-15)23-12-5-2/h2,8-11,13-14,17,19H,4,6-7,12H2,1,3H3/t14-,17+/m1/s1