2-[[3-(2-indolizin-3-yloxycarbonylbutanoyl)phenyl]amino]propanoic acid

Systemtic Name: 2-[[3-(2-indolizin-3-yloxycarbonylbutanoyl)phenyl]amino]propanoic acid Openeye Name: 2-[3-(2-indolizin-3-yloxycarbonylbutanoyl)anilino]propanoic acid CAS Name: 2-[3-[2-[3-indolizinyloxy(oxo)methyl]-1-oxobutyl]anilino]propanoic acid IUPAC Name: 2-[3-(2-indolizin-3-yloxycarbonylbutanoyl)anilino]propanoic acid Traditional Name: 2-[3-(2-indolizin-3-yloxycarbonylbutanoyl)anilino]propionic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=CC=C1)NC(C)C(=O)O)C(=O)OC2=CC=C3N2C=CC=C3

Isomeric SMILES

CCC(C(=O)C1=CC(=CC=C1)NC(C)C(=O)O)C(=O)OC2=CC=C3N2C=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-3-18(22(28)29-19-11-10-17-9-4-5-12-24(17)19)20(25)15-7-6-8-16(13-15)23-14(2)21(26)27/h4-14,18,23H,3H2,1-2H3,(H,26,27)