3-[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]-2,2-dimethyl-propionic acid Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4/c1-25(2,24(27)28)16-26-12-10-17(11-13-26)23-20-9-8-19(29-3)14-18(20)15-30-22-7-5-4-6-21(22)23/h4-9,14H,10-13,15-16H2,1-3H3,(H,27,28)