4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-3,3-dimethyl-butanoic acid Openeye Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]-3,3-dimethyl-butanoic acid CAS Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]-3,3-dimethylbutanoic acid IUPAC Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-3,3-dimethylbutanoic acid Traditional Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]-3,3-dimethyl-butyric acid Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)CN1CCC(=C2C3=CC=CC=C3COC4=CC=CC=C42)CC1

Isomeric SMILES

CC(C)(CC(=O)O)CN1CCC(=C2C3=CC=CC=C3COC4=CC=CC=C42)CC1

InChI

InChI=1S/C25H29NO3/c1-25(2,15-23(27)28)17-26-13-11-18(12-14-26)24-20-8-4-3-7-19(20)16-29-22-10-6-5-9-21(22)24/h3-10H,11-17H2,1-2H3,(H,27,28)