3-[4-[3-[[(4-butoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]-2-phenoxy-propanoic acid

Systemtic Name: 3-[4-[3-[[(4-butoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]-2-phenoxy-propanoic acid Openeye Name: 3-[4-[3-[[(4-butoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]-2-phenoxy-propanoic acid CAS Name: 3-[4-[3-[[[(4-butoxyphenyl)-oxomethyl]-methylamino]methyl]phenyl]phenyl]-2-phenoxypropanoic acid IUPAC Name: 3-[4-[3-[[(4-butoxybenzoyl)-methylamino]methyl]phenyl]phenyl]-2-phenoxypropanoic acid Traditional Name: 3-[4-[3-[[(4-butoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]-2-phenoxy-propionic acid Formula: C34H35NO5 MolecularWeight: 537.6454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(C)CC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(C)CC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C34H35NO5/c1-3-4-21-39-30-19-17-28(18-20-30)33(36)35(2)24-26-9-8-10-29(22-26)27-15-13-25(14-16-27)23-32(34(37)38)40-31-11-6-5-7-12-31/h5-20,22,32H,3-4,21,23-24H2,1-2H3,(H,37,38)