methyl 4-[(Z)-[7-[(3-methylpiperidin-1-yl)methyl]-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[7-[(3-methylpiperidin-1-yl)methyl]-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[6-hydroxy-7-[(3-methyl-1-piperidyl)methyl]-3-oxo-benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[6-hydroxy-7-[(3-methyl-1-piperidinyl)methyl]-3-oxo-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[6-hydroxy-7-[(3-methylpiperidin-1-yl)methyl]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[6-hydroxy-3-keto-7-[(3-methylpiperidino)methyl]coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C(=O)OC)C3=O)O

Isomeric SMILES

CC1CCCN(C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C(=O)OC)/C3=O)O

InChI

InChI=1S/C24H25NO5/c1-15-4-3-11-25(13-15)14-19-20(26)10-9-18-22(27)21(30-23(18)19)12-16-5-7-17(8-6-16)24(28)29-2/h5-10,12,15,26H,3-4,11,13-14H2,1-2H3/b21-12-