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

Systemtic Name: 4-[[[(2R)-2-(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2R)-2-(4-butyl-6-chloro-2-oxo-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2R)-2-[(4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2R)-2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2R)-2-(4-butyl-6-chloro-2-keto-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate Formula: C24H29ClNO6- MolecularWeight: 462.94316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)O[C@H](C)C(=O)NCC3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C24H30ClNO6/c1-3-4-5-17-10-22(27)32-20-12-21(19(25)11-18(17)20)31-14(2)23(28)26-13-15-6-8-16(9-7-15)24(29)30/h10-12,14-16H,3-9,13H2,1-2H3,(H,26,28)(H,29,30)/p-1/t14-,15?,16?/m1/s1