4-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]oxane-4-carboxylic acid

Systemtic Name: 4-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]oxane-4-carboxylic acid Openeye Name: 4-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]methyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]oxane-4-carboxylic acid Traditional Name: 4-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]methyl]tetrahydropyran-4-carboxylic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C2C3=CC=CC=C3COC4=CC=CC=C42)CC5(CCOCC5)C(=O)O

Isomeric SMILES

C1CN(CCC1=C2C3=CC=CC=C3COC4=CC=CC=C42)CC5(CCOCC5)C(=O)O

InChI

InChI=1S/C26H29NO4/c28-25(29)26(11-15-30-16-12-26)18-27-13-9-19(10-14-27)24-21-6-2-1-5-20(21)17-31-23-8-4-3-7-22(23)24/h1-8H,9-18H2,(H,28,29)