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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[[4-(isoindolin-5-ylamino)-4-oxo-butanoyl]amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-1,4-dioxobutyl]amino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]-3-(4-methoxyphenyl)propionic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2

InChI

InChI=1S/C22H25N3O5/c1-30-18-6-3-14(4-7-18)19(11-22(28)29)25-21(27)9-8-20(26)24-17-5-2-15-12-23-13-16(15)10-17/h2-7,10,19,23H,8-9,11-13H2,1H3,(H,24,26)(H,25,27)(H,28,29)