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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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