4-[[[(2R)-2-(2-oxidanylidene-3-phenyl-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2R)-2-(2-oxidanylidene-3-phenyl-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2R)-2-(2-oxo-3-phenyl-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2R)-1-oxo-2-[(2-oxo-3-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2R)-2-(2-oxo-3-phenylchromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2R)-2-(2-keto-3-phenyl-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate Formula: C26H26NO6- MolecularWeight: 448.48774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCC(CC1)C(=O)[O-])OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NCC1CCC(CC1)C(=O)[O-])OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO6/c1-16(24(28)27-15-17-7-9-19(10-8-17)25(29)30)32-21-12-11-20-13-22(18-5-3-2-4-6-18)26(31)33-23(20)14-21/h2-6,11-14,16-17,19H,7-10,15H2,1H3,(H,27,28)(H,29,30)/p-1/t16-,17?,19?/m1/s1