3-(4-ethylphenyl)-2-[[2-(1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-ethylphenyl)-2-[[2-(1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-(4-ethylphenyl)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]propanoic acid CAS Name: 3-(4-ethylphenyl)-2-[[[2-[[1H-indol-2-yl(oxo)methyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-ethylphenyl)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]propanoic acid Traditional Name: 3-(4-ethylphenyl)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]propionic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C27H25N3O4/c1-2-17-11-13-18(14-12-17)15-24(27(33)34)30-25(31)20-8-4-6-10-22(20)29-26(32)23-16-19-7-3-5-9-21(19)28-23/h3-14,16,24,28H,2,15H2,1H3,(H,29,32)(H,30,31)(H,33,34)