4-[[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C28H31NO6/c1-17-23-13-12-22(15-25(23)35-28(33)24(17)14-19-6-4-3-5-7-19)34-18(2)26(30)29-16-20-8-10-21(11-9-20)27(31)32/h3-7,12-13,15,18,20-21H,8-11,14,16H2,1-2H3,(H,29,30)(H,31,32)