4-[[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl]oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(C)C(=O)NCC4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(C)C(=O)NCC4CCC(CC4)C(=O)O

InChI

InChI=1S/C29H33NO6/c1-17-13-24(35-19(3)27(31)30-16-21-9-11-22(12-10-21)28(32)33)26-18(2)23(29(34)36-25(26)14-17)15-20-7-5-4-6-8-20/h4-8,13-14,19,21-22H,9-12,15-16H2,1-3H3,(H,30,31)(H,32,33)