4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethyl-butanoic acid

Systemtic Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]-2,2-dimethyl-butanoic acid CAS Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]-2,2-dimethylbutanoic acid IUPAC Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylbutanoic acid Traditional Name: 4-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]-2,2-dimethyl-butyric acid Formula: C25H29NO3 MolecularWeight: 391.50266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1CCC(=C2C3=CC=CC=C3COC4=CC=CC=C42)CC1)C(=O)O

Isomeric SMILES

CC(C)(CCN1CCC(=C2C3=CC=CC=C3COC4=CC=CC=C42)CC1)C(=O)O

InChI

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