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

Systemtic Name: 3-[[4-[3-ethyl-1-[(4-ethylphenyl)carbamoylamino]heptyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[3-ethyl-1-[(4-ethylphenyl)carbamoylamino]heptyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[3-ethyl-1-[[(4-ethylanilino)-oxomethyl]amino]heptyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[3-ethyl-1-[(4-ethylphenyl)carbamoylamino]heptyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[3-ethyl-1-[(4-ethylphenyl)carbamoylamino]heptyl]benzoyl]amino]propionic acid Formula: C28H39N3O4 MolecularWeight: 481.62696

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O4/c1-4-7-8-21(6-3)19-25(31-28(35)30-24-15-9-20(5-2)10-16-24)22-11-13-23(14-12-22)27(34)29-18-17-26(32)33/h9-16,21,25H,4-8,17-19H2,1-3H3,(H,29,34)(H,32,33)(H2,30,31,35)