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

Systemtic Name: ethyl (2S,3S)-3-methanoyl-2-[(4-prop-2-ynoxyphenyl)amino]octanoate Openeye Name: ethyl (2S,3S)-3-formyl-2-(4-prop-2-ynoxyanilino)octanoate CAS Name: (2S,3S)-3-formyl-2-(4-prop-2-ynoxyanilino)octanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-formyl-2-(4-prop-2-ynoxyanilino)octanoate Traditional Name: (2S,3S)-3-formyl-2-(4-propargyloxyanilino)caprylic acid ethyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-4-7-8-9-16(15-22)19(20(23)24-6-3)21-17-10-12-18(13-11-17)25-14-5-2/h2,10-13,15-16,19,21H,4,6-9,14H2,1,3H3/t16-,19+/m1/s1