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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]-3-(4-propoxyphenyl)propanoic acid hydrochloride Openeye Name: 3-[[4-(isoindolin-5-ylamino)-4-oxo-butanoyl]amino]-3-(4-propoxyphenyl)propanoic acid hydrochloride CAS Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-1,4-dioxobutyl]amino]-3-(4-propoxyphenyl)propanoic acid hydrochloride IUPAC Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]-3-(4-propoxyphenyl)propanoic acid hydrochloride Traditional Name: 3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]-3-(4-propoxyphenyl)propionic acid hydrochloride Formula: C24H30ClN3O5 MolecularWeight: 475.9651

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2.Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2.Cl

InChI

InChI=1S/C24H29N3O5.ClH/c1-2-11-32-20-7-4-16(5-8-20)21(13-24(30)31)27-23(29)10-9-22(28)26-19-6-3-17-14-25-15-18(17)12-19;/h3-8,12,21,25H,2,9-11,13-15H2,1H3,(H,26,28)(H,27,29)(H,30,31);1H