3-(2-azanylethyl)-6-(hydroxymethyl)-1-[3-(3-methoxy-4-oxidanyl-phenyl)propyl]piperazine-2,5-dione

Systemtic Name: 3-(2-azanylethyl)-6-(hydroxymethyl)-1-[3-(3-methoxy-4-oxidanyl-phenyl)propyl]piperazine-2,5-dione Openeye Name: 3-(2-aminoethyl)-1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]-6-(hydroxymethyl)piperazine-2,5-dione CAS Name: 3-(2-aminoethyl)-1-[3-(4-hydroxy-3-methoxyphenyl)propyl]-6-(hydroxymethyl)piperazine-2,5-dione IUPAC Name: 3-(2-aminoethyl)-1-[3-(4-hydroxy-3-methoxyphenyl)propyl]-6-(hydroxymethyl)piperazine-2,5-dione Traditional Name: 3-(2-aminoethyl)-1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]-6-methylol-piperazine-2,5-quinone Formula: C17H25N3O5 MolecularWeight: 351.3975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCN2C(C(=O)NC(C2=O)CCN)CO)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCCN2C(C(=O)NC(C2=O)CCN)CO)O

InChI

InChI=1S/C17H25N3O5/c1-25-15-9-11(4-5-14(15)22)3-2-8-20-13(10-21)16(23)19-12(6-7-18)17(20)24/h4-5,9,12-13,21-22H,2-3,6-8,10,18H2,1H3,(H,19,23)