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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4/c1-5-11-23-15-9-7-14(8-10-15)19-17(18(21)22-6-2)16(12-20)13(3)4/h1,7-10,12-13,16-17,19H,6,11H2,2-4H3/t16-,17-/m0/s1