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

Systemtic Name: 3-[4-[3-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)propoxy]phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[4-[3-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)propoxy]phenyl]-2-methoxy-propanoic acid CAS Name: 3-[4-[3-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)propoxy]phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[4-[3-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)propoxy]phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-[3-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)propoxy]phenyl]-2-methoxy-propionic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3CCCC4=CC=CC=C42)C(=O)O

Isomeric SMILES

COC(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3CCCC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-32-27(28(30)31)20-21-14-16-24(17-15-21)33-19-7-18-29-25-12-4-2-8-22(25)10-6-11-23-9-3-5-13-26(23)29/h2-5,8-9,12-17,27H,6-7,10-11,18-20H2,1H3,(H,30,31)