3-[4-[3-[1-[(4-butoxyphenyl)carbonylamino]ethyl]phenyl]phenyl]-2-phenoxy-propanoic acid

Systemtic Name: 3-[4-[3-[1-[(4-butoxyphenyl)carbonylamino]ethyl]phenyl]phenyl]-2-phenoxy-propanoic acid Openeye Name: 3-[4-[3-[1-[(4-butoxybenzoyl)amino]ethyl]phenyl]phenyl]-2-phenoxy-propanoic acid CAS Name: 3-[4-[3-[1-[[(4-butoxyphenyl)-oxomethyl]amino]ethyl]phenyl]phenyl]-2-phenoxypropanoic acid IUPAC Name: 3-[4-[3-[1-[(4-butoxybenzoyl)amino]ethyl]phenyl]phenyl]-2-phenoxypropanoic acid Traditional Name: 3-[4-[3-[1-[(4-butoxybenzoyl)amino]ethyl]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)NC(C)C2=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)NC(C)C2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)OC4=CC=CC=C4

InChI

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