3-[[4-[3-ethyl-1-[(4-phenoxyphenyl)carbamoylamino]heptyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[3-ethyl-1-[(4-phenoxyphenyl)carbamoylamino]heptyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[3-ethyl-1-[(4-phenoxyphenyl)carbamoylamino]heptyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[3-ethyl-1-[[oxo-(4-phenoxyanilino)methyl]amino]heptyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[3-ethyl-1-[(4-phenoxyphenyl)carbamoylamino]heptyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[3-ethyl-1-[(4-phenoxyphenyl)carbamoylamino]heptyl]benzoyl]amino]propionic acid Formula: C32H39N3O5 MolecularWeight: 545.66916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C32H39N3O5/c1-3-5-9-23(4-2)22-29(24-12-14-25(15-13-24)31(38)33-21-20-30(36)37)35-32(39)34-26-16-18-28(19-17-26)40-27-10-7-6-8-11-27/h6-8,10-19,23,29H,3-5,9,20-22H2,1-2H3,(H,33,38)(H,36,37)(H2,34,35,39)