2-[[(E)-3-[1-(diphenylmethyl)indol-5-yl]but-2-enoyl]amino]-2-phenoxy-butanoic acid

Systemtic Name: 2-[[(E)-3-[1-(diphenylmethyl)indol-5-yl]but-2-enoyl]amino]-2-phenoxy-butanoic acid Openeye Name: 2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-2-phenoxy-butanoic acid CAS Name: 2-[[(E)-3-[1-(diphenylmethyl)-5-indolyl]-1-oxobut-2-enyl]amino]-2-phenoxybutanoic acid IUPAC Name: 2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-2-phenoxybutanoic acid Traditional Name: 2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-2-phenoxy-butyric acid Formula: C35H32N2O4 MolecularWeight: 544.63958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(NC(=O)C=C(C)C1=CC2=C(C=C1)N(C=C2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)O)(NC(=O)/C=C(\C)/C1=CC2=C(C=C1)N(C=C2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C35H32N2O4/c1-3-35(34(39)40,41-30-17-11-6-12-18-30)36-32(38)23-25(2)28-19-20-31-29(24-28)21-22-37(31)33(26-13-7-4-8-14-26)27-15-9-5-10-16-27/h4-24,33H,3H2,1-2H3,(H,36,38)(H,39,40)/b25-23+