3-(4-butoxyphenyl)-3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]propanoic acid

Systemtic Name: 3-(4-butoxyphenyl)-3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 3-(4-butoxyphenyl)-3-[[4-(isoindolin-5-ylamino)-4-oxo-butanoyl]amino]propanoic acid CAS Name: 3-(4-butoxyphenyl)-3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 3-(4-butoxyphenyl)-3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]propanoic acid Traditional Name: 3-(4-butoxyphenyl)-3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]propionic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2

InChI

InChI=1S/C25H31N3O5/c1-2-3-12-33-21-8-5-17(6-9-21)22(14-25(31)32)28-24(30)11-10-23(29)27-20-7-4-18-15-26-16-19(18)13-20/h4-9,13,22,26H,2-3,10-12,14-16H2,1H3,(H,27,29)(H,28,30)(H,31,32)