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

Systemtic Name: 3-[1-(diphenylmethyl)indol-5-yl]-2-[[(E)-pent-2-enoyl]amino]-2-phenoxy-butanoic acid Openeye Name: 3-(1-benzhydrylindol-5-yl)-2-[[(E)-pent-2-enoyl]amino]-2-phenoxy-butanoic acid CAS Name: 3-[1-(diphenylmethyl)-5-indolyl]-2-[[(E)-1-oxopent-2-enyl]amino]-2-phenoxybutanoic acid IUPAC Name: 3-(1-benzhydrylindol-5-yl)-2-[[(E)-pent-2-enoyl]amino]-2-phenoxybutanoic acid Traditional Name: 3-(1-benzhydrylindol-5-yl)-2-[[(E)-pent-2-enoyl]amino]-2-phenoxy-butyric acid Formula: C36H34N2O4 MolecularWeight: 558.66616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H34N2O4/c1-3-4-20-33(39)37-36(35(40)41,42-31-18-12-7-13-19-31)26(2)29-21-22-32-30(25-29)23-24-38(32)34(27-14-8-5-9-15-27)28-16-10-6-11-17-28/h4-26,34H,3H2,1-2H3,(H,37,39)(H,40,41)/b20-4+