2-[[2-[2-(3,4-diethoxyphenyl)ethanoyl]-3-oxidanylidene-cyclohexen-1-yl]amino]propanoic acid

Systemtic Name: 2-[[2-[2-(3,4-diethoxyphenyl)ethanoyl]-3-oxidanylidene-cyclohexen-1-yl]amino]propanoic acid Openeye Name: 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]-3-oxo-cyclohexen-1-yl]amino]propanoic acid CAS Name: 2-[[2-[2-(3,4-diethoxyphenyl)-1-oxoethyl]-3-oxo-1-cyclohexenyl]amino]propanoic acid IUPAC Name: 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]-3-oxocyclohexen-1-yl]amino]propanoic acid Traditional Name: 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]-3-keto-cyclohexen-1-yl]amino]propionic acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CCCC2=O)NC(C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CCCC2=O)NC(C)C(=O)O)OCC

InChI

InChI=1S/C21H27NO6/c1-4-27-18-10-9-14(12-19(18)28-5-2)11-17(24)20-15(7-6-8-16(20)23)22-13(3)21(25)26/h9-10,12-13,22H,4-8,11H2,1-3H3,(H,25,26)