4-[[[(2R)-2-(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2R)-2-(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2R)-2-(6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2R)-2-[(6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2R)-2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2R)-2-(6-chloro-2-keto-3,4-dimethyl-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate Formula: C22H25ClNO6- MolecularWeight: 434.89

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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-])C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O[C@H](C)C(=O)NCC3CCC(CC3)C(=O)[O-])C

InChI

InChI=1S/C22H26ClNO6/c1-11-12(2)22(28)30-18-9-19(17(23)8-16(11)18)29-13(3)20(25)24-10-14-4-6-15(7-5-14)21(26)27/h8-9,13-15H,4-7,10H2,1-3H3,(H,24,25)(H,26,27)/p-1/t13-,14?,15?/m1/s1