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

Systemtic Name: 4-[[[(2S)-2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-2-(4-butyl-2-oxochromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-(4-butyl-2-keto-chromen-7-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate Formula: C24H30NO6- MolecularWeight: 428.4981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCC3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)NCC3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C24H31NO6/c1-3-4-5-18-12-22(26)31-21-13-19(10-11-20(18)21)30-15(2)23(27)25-14-16-6-8-17(9-7-16)24(28)29/h10-13,15-17H,3-9,14H2,1-2H3,(H,25,27)(H,28,29)/p-1/t15-,16?,17?/m0/s1