ethyl (2S)-3-(4-hydroxyphenyl)-2-[(6-oxidanylidenecyclohexen-1-yl)amino]propanoate

Systemtic Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[(6-oxidanylidenecyclohexen-1-yl)amino]propanoate Openeye Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[(6-oxocyclohexen-1-yl)amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[(6-oxo-1-cyclohexenyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[(6-oxocyclohexen-1-yl)amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[(6-ketocyclohexen-1-yl)amino]propionic acid ethyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC2=CCCCC2=O

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC2=CCCCC2=O

InChI

InChI=1S/C17H21NO4/c1-2-22-17(21)15(11-12-7-9-13(19)10-8-12)18-14-5-3-4-6-16(14)20/h5,7-10,15,18-19H,2-4,6,11H2,1H3/t15-/m0/s1