4-[(2-bromophenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-bromophenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-bromoanilino)-2-(3-morpholinopropylamino)-4-oxo-butanoic acid CAS Name: 4-(2-bromoanilino)-2-[3-(4-morpholinyl)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(2-bromoanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid Traditional Name: 4-(2-bromoanilino)-4-keto-2-(3-morpholinopropylamino)butyric acid Formula: C17H24BrN3O4 MolecularWeight: 414.29416

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(CC(=O)NC2=CC=CC=C2Br)C(=O)O

Isomeric SMILES

C1COCCN1CCCNC(CC(=O)NC2=CC=CC=C2Br)C(=O)O

InChI

InChI=1S/C17H24BrN3O4/c18-13-4-1-2-5-14(13)20-16(22)12-15(17(23)24)19-6-3-7-21-8-10-25-11-9-21/h1-2,4-5,15,19H,3,6-12H2,(H,20,22)(H,23,24)