4-[[2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[2-(3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-[[6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-(3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylate Formula: C27H27ClNO6- MolecularWeight: 496.95938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NCC3CCC(CC3)C(=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NCC3CCC(CC3)C(=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C27H28ClNO6/c1-16-20-12-22(28)24(13-23(20)35-27(33)21(16)11-17-5-3-2-4-6-17)34-15-25(30)29-14-18-7-9-19(10-8-18)26(31)32/h2-6,12-13,18-19H,7-11,14-15H2,1H3,(H,29,30)(H,31,32)/p-1