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

Systemtic Name: 2-[[(E)-but-2-enoyl]amino]-3-(1H-indol-5-yl)-2-phenoxy-butanoic acid Openeye Name: 2-[[(E)-but-2-enoyl]amino]-3-(1H-indol-5-yl)-2-phenoxy-butanoic acid CAS Name: 3-(1H-indol-5-yl)-2-[[(E)-1-oxobut-2-enyl]amino]-2-phenoxybutanoic acid IUPAC Name: 2-[[(E)-but-2-enoyl]amino]-3-(1H-indol-5-yl)-2-phenoxybutanoic acid Traditional Name: 2-[[(E)-but-2-enoyl]amino]-3-(1H-indol-5-yl)-2-phenoxy-butyric acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C(=O)NC(C(C)C1=CC2=C(C=C1)NC=C2)(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-3-7-20(25)24-22(21(26)27,28-18-8-5-4-6-9-18)15(2)16-10-11-19-17(14-16)12-13-23-19/h3-15,23H,1-2H3,(H,24,25)(H,26,27)/b7-3+