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

Systemtic Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]oxane-4-carboxylic acid Openeye Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]oxane-4-carboxylic acid Traditional Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]tetrahydropyran-4-carboxylic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C2C3=CC=CC=C3COC4=CC=CC=C42)C5(CCOCC5)C(=O)O

Isomeric SMILES

C1CN(CCC1=C2C3=CC=CC=C3COC4=CC=CC=C42)C5(CCOCC5)C(=O)O

InChI

InChI=1S/C25H27NO4/c27-24(28)25(11-15-29-16-12-25)26-13-9-18(10-14-26)23-20-6-2-1-5-19(20)17-30-22-8-4-3-7-21(22)23/h1-8H,9-17H2,(H,27,28)