3-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]oxolane-3-carboxylic acid

Systemtic Name: 3-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]oxolane-3-carboxylic acid Openeye Name: 3-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]methyl]tetrahydrofuran-3-carboxylic acid CAS Name: 3-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]methyl]-3-oxolanecarboxylic acid IUPAC Name: 3-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]oxolane-3-carboxylic acid Traditional Name: 3-[[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]methyl]tetrahydrofuran-3-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)CC5(CCOC5)C(=O)O

Isomeric SMILES

C1CN(CCC1=C2C3=CC=CC=C3COC4=CC=CC=C42)CC5(CCOC5)C(=O)O

InChI

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