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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 3-(4-ethoxyphenyl)-3-[[4-(isoindolin-5-ylamino)-4-oxo-butanoyl]amino]propanoic acid CAS Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-1,4-dioxobutyl]amino]-3-(4-ethoxyphenyl)propanoic acid IUPAC Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]-3-(4-ethoxyphenyl)propanoic acid Traditional Name: 3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]-3-p-phenetyl-propionic acid Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2

InChI

InChI=1S/C23H27N3O5/c1-2-31-19-7-4-15(5-8-19)20(12-23(29)30)26-22(28)10-9-21(27)25-18-6-3-16-13-24-14-17(16)11-18/h3-8,11,20,24H,2,9-10,12-14H2,1H3,(H,25,27)(H,26,28)(H,29,30)