4-[[2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[[6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C28H30ClNO6 MolecularWeight: 511.9939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C28H30ClNO6/c1-16-21-13-23(29)25(14-24(21)36-28(34)22(16)12-18-6-4-3-5-7-18)35-17(2)26(31)30-15-19-8-10-20(11-9-19)27(32)33/h3-7,13-14,17,19-20H,8-12,15H2,1-2H3,(H,30,31)(H,32,33)