2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]butanoic acid

Systemtic Name: 2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]butanoic acid Openeye Name: 2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]methyl]butanoic acid CAS Name: 2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]methyl]butanoic acid IUPAC Name: 2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]butanoic acid Traditional Name: 2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]methyl]butyric acid Formula: C27H33NO4 MolecularWeight: 435.55522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CN1CCC(=C2C3=C(COC4=CC=CC=C42)C=C(C=C3)OC)CC1)C(=O)O

Isomeric SMILES

CCC(CC)(CN1CCC(=C2C3=C(COC4=CC=CC=C42)C=C(C=C3)OC)CC1)C(=O)O

InChI

InChI=1S/C27H33NO4/c1-4-27(5-2,26(29)30)18-28-14-12-19(13-15-28)25-22-11-10-21(31-3)16-20(22)17-32-24-9-7-6-8-23(24)25/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,29,30)