3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[1-oxo-7-(1-piperazinyl)-3,4-dihydroisoquinolin-2-yl]ethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(1-keto-7-piperazino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]propionic acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCNCC3)CC(=O)NCCC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCNCC3)CC(=O)NCCC(=O)O

InChI

InChI=1S/C18H24N4O4/c23-16(20-5-3-17(24)25)12-22-8-4-13-1-2-14(11-15(13)18(22)26)21-9-6-19-7-10-21/h1-2,11,19H,3-10,12H2,(H,20,23)(H,24,25)