3-[4-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)-3-methoxy-phenyl]ethanoylamino]phenyl]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[4-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)-3-methoxy-phenyl]ethanoylamino]phenyl]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[4-[[2-[4-(indoline-1-carbonylamino)-3-methoxy-phenyl]acetyl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[2-[4-[[2,3-dihydroindol-1-yl(oxo)methyl]amino]-3-methoxyphenyl]-1-oxoethyl]amino]phenyl]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[4-[[2-[4-(2,3-dihydroindole-1-carbonylamino)-3-methoxyphenyl]acetyl]amino]phenyl]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[4-[[2-[4-(indoline-1-carbonylamino)-3-methoxy-phenyl]acetyl]amino]phenyl]propionic acid Formula: C33H30FN3O5 MolecularWeight: 567.606803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)NC2=CC=C(C=C2)C(CC(=O)O)C3=CC=C(C=C3)F)NC(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)NC2=CC=C(C=C2)C(CC(=O)O)C3=CC=C(C=C3)F)NC(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C33H30FN3O5/c1-42-30-18-21(6-15-28(30)36-33(41)37-17-16-24-4-2-3-5-29(24)37)19-31(38)35-26-13-9-23(10-14-26)27(20-32(39)40)22-7-11-25(34)12-8-22/h2-15,18,27H,16-17,19-20H2,1H3,(H,35,38)(H,36,41)(H,39,40)