4-[[[(2S)-2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2S)-2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-2-(4-methyl-6-oxo-benzo[c]chromen-3-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-(6-keto-4-methyl-benzo[c]chromen-3-yl)oxypropanoyl]amino]methyl]cyclohexanecarboxylate Formula: C25H26NO6- MolecularWeight: 436.47704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(C)C(=O)NCC4CCC(CC4)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O[C@@H](C)C(=O)NCC4CCC(CC4)C(=O)[O-]

InChI

InChI=1S/C25H27NO6/c1-14-21(12-11-19-18-5-3-4-6-20(18)25(30)32-22(14)19)31-15(2)23(27)26-13-16-7-9-17(10-8-16)24(28)29/h3-6,11-12,15-17H,7-10,13H2,1-2H3,(H,26,27)(H,28,29)/p-1/t15-,16?,17?/m0/s1