ethyl 3-(4-methoxyphenyl)-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3S)-3-methyl-1-piperidyl]methyl]-4-oxo-chromene-2-carboxylate CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3S)-3-methyl-1-piperidinyl]methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-oxochromene-2-carboxylate Traditional Name: 7-hydroxy-4-keto-3-(4-methoxyphenyl)-8-[[(3S)-3-methylpiperidino]methyl]chromene-2-carboxylic acid ethyl ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC(C3)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCC[C@@H](C3)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29NO6/c1-4-32-26(30)25-22(17-7-9-18(31-3)10-8-17)23(29)19-11-12-21(28)20(24(19)33-25)15-27-13-5-6-16(2)14-27/h7-12,16,28H,4-6,13-15H2,1-3H3/t16-/m0/s1