4-[2-[[(E)-3-[1-(diphenylmethyl)indol-5-yl]but-2-enoyl]amino]-5-methyl-phenoxy]butanoic acid

Systemtic Name: 4-[2-[[(E)-3-[1-(diphenylmethyl)indol-5-yl]but-2-enoyl]amino]-5-methyl-phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-5-methyl-phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-3-[1-(diphenylmethyl)-5-indolyl]-1-oxobut-2-enyl]amino]-5-methylphenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-5-methylphenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-5-methyl-phenoxy]butyric acid Formula: C36H34N2O4 MolecularWeight: 558.66616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C=C(C)C2=CC3=C(C=C2)N(C=C3)C(C4=CC=CC=C4)C5=CC=CC=C5)OCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)/C=C(\C)/C2=CC3=C(C=C2)N(C=C3)C(C4=CC=CC=C4)C5=CC=CC=C5)OCCCC(=O)O

InChI

InChI=1S/C36H34N2O4/c1-25-15-17-31(33(22-25)42-21-9-14-35(40)41)37-34(39)23-26(2)29-16-18-32-30(24-29)19-20-38(32)36(27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-20,22-24,36H,9,14,21H2,1-2H3,(H,37,39)(H,40,41)/b26-23+