3-[4-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-ylmethoxy)phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-ylmethoxy)phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-ylmethoxy)phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-ylmethoxy)phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-ylmethoxy)phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-ylmethoxy)phenyl]-2-ethoxy-propionic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCN2C3=CC=CC=C3CCCC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCN2C3=CC=CC=C3CCCC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C27H29NO4/c1-2-31-26(27(29)30)18-20-14-16-23(17-15-20)32-19-28-24-12-5-3-8-21(24)10-7-11-22-9-4-6-13-25(22)28/h3-6,8-9,12-17,26H,2,7,10-11,18-19H2,1H3,(H,29,30)