2-[[5-bromanyl-2-(4-phenoxybutanoylamino)phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-(4-phenoxybutanoylamino)phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[5-bromo-2-(4-phenoxybutanoylamino)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[5-bromo-2-[(1-oxo-4-phenoxybutyl)amino]phenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[5-bromo-2-(4-phenoxybutanoylamino)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[5-bromo-2-(4-phenoxybutanoylamino)benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C32H29BrN2O5 MolecularWeight: 601.48706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Br)NC(=O)CCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Br)NC(=O)CCCOC4=CC=CC=C4

InChI

InChI=1S/C32H29BrN2O5/c33-25-17-18-28(34-30(36)12-7-19-40-26-10-5-2-6-11-26)27(21-25)31(37)35-29(32(38)39)20-22-13-15-24(16-14-22)23-8-3-1-4-9-23/h1-6,8-11,13-18,21,29H,7,12,19-20H2,(H,34,36)(H,35,37)(H,38,39)