3-azanyl-4-[[2-oxidanyl-3-[[3-(piperidin-1-ylmethyl)phenyl]methoxy]propyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[[2-oxidanyl-3-[[3-(piperidin-1-ylmethyl)phenyl]methoxy]propyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[[2-hydroxy-3-[[3-(1-piperidylmethyl)phenyl]methoxy]propyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[[2-hydroxy-3-[[3-(1-piperidinylmethyl)phenyl]methoxy]propyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[[2-hydroxy-3-[[3-(piperidin-1-ylmethyl)phenyl]methoxy]propyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[[2-hydroxy-3-[3-(piperidinomethyl)benzyl]oxy-propyl]amino]cyclobut-3-ene-1,2-quinone Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)COCC(CNC3=C(C(=O)C3=O)N)O

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)COCC(CNC3=C(C(=O)C3=O)N)O

InChI

InChI=1S/C20H27N3O4/c21-17-18(20(26)19(17)25)22-10-16(24)13-27-12-15-6-4-5-14(9-15)11-23-7-2-1-3-8-23/h4-6,9,16,22,24H,1-3,7-8,10-13,21H2