3-(1-octan-4-ylindol-5-yl)-2-[[(E)-pent-2-enoyl]amino]-2-phenoxy-butanoic acid

Systemtic Name: 3-(1-octan-4-ylindol-5-yl)-2-[[(E)-pent-2-enoyl]amino]-2-phenoxy-butanoic acid Openeye Name: 2-[[(E)-pent-2-enoyl]amino]-2-phenoxy-3-[1-(1-propylpentyl)indol-5-yl]butanoic acid CAS Name: 3-(1-octan-4-yl-5-indolyl)-2-[[(E)-1-oxopent-2-enyl]amino]-2-phenoxybutanoic acid IUPAC Name: 3-(1-octan-4-ylindol-5-yl)-2-[[(E)-pent-2-enoyl]amino]-2-phenoxybutanoic acid Traditional Name: 2-[[(E)-pent-2-enoyl]amino]-2-phenoxy-3-[1-(1-propylpentyl)indol-5-yl]butyric acid Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)N1C=CC2=C1C=CC(=C2)C(C)C(C(=O)O)(NC(=O)C=CCC)OC3=CC=CC=C3

Isomeric SMILES

CCCCC(CCC)N1C=CC2=C1C=CC(=C2)C(C)C(C(=O)O)(NC(=O)/C=C/CC)OC3=CC=CC=C3

InChI

InChI=1S/C31H40N2O4/c1-5-8-14-26(13-7-3)33-21-20-25-22-24(18-19-28(25)33)23(4)31(30(35)36,32-29(34)17-9-6-2)37-27-15-11-10-12-16-27/h9-12,15-23,26H,5-8,13-14H2,1-4H3,(H,32,34)(H,35,36)/b17-9+