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

Systemtic Name: 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-3-methyl-butanoic acid Openeye Name: 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]-3-methyl-butanoic acid CAS Name: 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]-3-methylbutanoic acid IUPAC Name: 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-3-methylbutanoic acid Traditional Name: 3-[4-(6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]-3-methyl-butyric acid Formula: C24H27NO3 MolecularWeight: 377.47608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)N1CCC(=C2C3=CC=CC=C3COC4=CC=CC=C42)CC1

Isomeric SMILES

CC(C)(CC(=O)O)N1CCC(=C2C3=CC=CC=C3COC4=CC=CC=C42)CC1

InChI

InChI=1S/C24H27NO3/c1-24(2,15-22(26)27)25-13-11-17(12-14-25)23-19-8-4-3-7-18(19)16-28-21-10-6-5-9-20(21)23/h3-10H,11-16H2,1-2H3,(H,26,27)