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

Systemtic Name: 2-[(5-bromanyl-2-heptoxy-phenyl)carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[(5-bromo-2-heptoxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[(5-bromo-2-heptoxyphenyl)-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[(5-bromo-2-heptoxybenzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[(5-bromo-2-heptoxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C35H36BrNO5 MolecularWeight: 630.56804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=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

CCCCCCCOC1=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/C35H36BrNO5/c1-2-3-4-5-11-22-41-32-21-20-27(36)24-30(32)34(38)37-31(35(39)40)23-25-16-18-26(19-17-25)29-14-9-10-15-33(29)42-28-12-7-6-8-13-28/h6-10,12-21,24,31H,2-5,11,22-23H2,1H3,(H,37,38)(H,39,40)