4-[[[(2S)-2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2S)-2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-2-(4-butyl-7-methyl-2-oxo-chromen-5-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-2-[(4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate Formula: C25H32NO6- MolecularWeight: 442.52468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO6/c1-4-5-6-19-13-22(27)32-21-12-15(2)11-20(23(19)21)31-16(3)24(28)26-14-17-7-9-18(10-8-17)25(29)30/h11-13,16-18H,4-10,14H2,1-3H3,(H,26,28)(H,29,30)/p-1/t16-,17?,18?/m0/s1