3-(1-heptan-4-ylindol-5-yl)-2-(pentanoylamino)-2-phenoxy-butanoic acid

Systemtic Name: 3-(1-heptan-4-ylindol-5-yl)-2-(pentanoylamino)-2-phenoxy-butanoic acid Openeye Name: 2-(pentanoylamino)-2-phenoxy-3-[1-(1-propylbutyl)indol-5-yl]butanoic acid CAS Name: 3-(1-heptan-4-yl-5-indolyl)-2-(1-oxopentylamino)-2-phenoxybutanoic acid IUPAC Name: 3-(1-heptan-4-ylindol-5-yl)-2-(pentanoylamino)-2-phenoxybutanoic acid Traditional Name: 2-phenoxy-3-[1-(1-propylbutyl)indol-5-yl]-2-(valerylamino)butyric acid Formula: C30H40N2O4 MolecularWeight: 492.6496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C(C)C1=CC2=C(C=C1)N(C=C2)C(CCC)CCC)(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC(C(C)C1=CC2=C(C=C1)N(C=C2)C(CCC)CCC)(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C30H40N2O4/c1-5-8-16-28(33)31-30(29(34)35,36-26-14-10-9-11-15-26)22(4)23-17-18-27-24(21-23)19-20-32(27)25(12-6-2)13-7-3/h9-11,14-15,17-22,25H,5-8,12-13,16H2,1-4H3,(H,31,33)(H,34,35)