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

Systemtic Name: 3-(1-heptan-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-propylbutyl)indol-5-yl]butanoic acid CAS Name: 3-(1-heptan-4-yl-5-indolyl)-2-[[(E)-1-oxopent-2-enyl]amino]-2-phenoxybutanoic acid IUPAC Name: 3-(1-heptan-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-propylbutyl)indol-5-yl]butyric acid Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O4/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/h8-11,14-22,25H,5-7,12-13H2,1-4H3,(H,31,33)(H,34,35)/b16-8+