2-[(5-bromanyl-2-propoxy-phenyl)carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid

Systemtic Name: 2-[(5-bromanyl-2-propoxy-phenyl)carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[(5-bromo-2-propoxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[(5-bromo-2-propoxyphenyl)-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[(5-bromo-2-propoxybenzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[(5-bromo-2-propoxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C31H28BrNO5 MolecularWeight: 574.46172

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H28BrNO5/c1-2-18-37-28-17-16-23(32)20-26(28)30(34)33-27(31(35)36)19-21-12-14-22(15-13-21)25-10-6-7-11-29(25)38-24-8-4-3-5-9-24/h3-17,20,27H,2,18-19H2,1H3,(H,33,34)(H,35,36)