3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]phenyl]-2-methoxy-propanoic acid

Systemtic Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]phenyl]-2-methoxy-propanoic acid CAS Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]phenyl]-2-methoxy-propionic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)CC(C(=O)O)OC)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CC(CC1=CC=C(C=C1)CC(C(=O)O)OC)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C27H29NO3/c1-19(17-20-11-13-21(14-12-20)18-26(31-2)27(29)30)28-24-9-5-3-7-22(24)15-16-23-8-4-6-10-25(23)28/h3-14,19,26H,15-18H2,1-2H3,(H,29,30)