2-[[(E)-but-2-enoyl]amino]-3-(1-hexan-3-ylindol-5-yl)-2-phenoxy-butanoic acid

Systemtic Name: 2-[[(E)-but-2-enoyl]amino]-3-(1-hexan-3-ylindol-5-yl)-2-phenoxy-butanoic acid Openeye Name: 2-[[(E)-but-2-enoyl]amino]-3-[1-(1-ethylbutyl)indol-5-yl]-2-phenoxy-butanoic acid CAS Name: 3-(1-hexan-3-yl-5-indolyl)-2-[[(E)-1-oxobut-2-enyl]amino]-2-phenoxybutanoic acid IUPAC Name: 2-[[(E)-but-2-enoyl]amino]-3-(1-hexan-3-ylindol-5-yl)-2-phenoxybutanoic acid Traditional Name: 2-[[(E)-but-2-enoyl]amino]-3-[1-(1-ethylbutyl)indol-5-yl]-2-phenoxy-butyric acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-5-11-23(7-3)30-18-17-22-19-21(15-16-25(22)30)20(4)28(27(32)33,29-26(31)12-6-2)34-24-13-9-8-10-14-24/h6,8-10,12-20,23H,5,7,11H2,1-4H3,(H,29,31)(H,32,33)/b12-6+