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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid chloride Openeye Name: 3-[[4-(isoindolin-5-ylamino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid chloride CAS Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid chloride IUPAC Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid chloride Traditional Name: 3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid chloride Formula: C21H23ClN3O4- MolecularWeight: 416.87802

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1)C=C(C=C2)NC(=O)CCC(=O)NC(CC(=O)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C2=C(CN1)C=C(C=C2)NC(=O)CCC(=O)NC(CC(=O)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H23N3O4.ClH/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14;/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28);1H/p-1