3-[cyclohexyl-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]amino]propanoic acid

Systemtic Name: 3-[cyclohexyl-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]amino]propanoic acid Openeye Name: 3-[cyclohexyl-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]amino]propanoic acid CAS Name: 3-[cyclohexyl-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl]amino]propanoic acid IUPAC Name: 3-[cyclohexyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]amino]propanoic acid Traditional Name: 3-[cyclohexyl-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl]amino]propionic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2CN(CCC(=O)O)C3CCCCC3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CN(CCC(=O)O)C3CCCCC3)O

InChI

InChI=1S/C20H25NO5/c1-13-11-19(25)26-20-15(13)7-8-17(22)16(20)12-21(10-9-18(23)24)14-5-3-2-4-6-14/h7-8,11,14,22H,2-6,9-10,12H2,1H3,(H,23,24)