6-(2-azanylethyl)-3-[(3-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

Systemtic Name: 6-(2-azanylethyl)-3-[(3-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione Openeye Name: 6-(2-aminoethyl)-3-[(3-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione CAS Name: 6-(2-aminoethyl)-3-[(3-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione IUPAC Name: 6-(2-aminoethyl)-3-[(3-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione Traditional Name: 6-(2-aminoethyl)-3-(3-hydroxybenzyl)-1-(4-hydroxybenzyl)piperazine-2,5-quinone Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CC2C(=O)N(C(C(=O)N2)CCN)CC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC(=CC(=C1)O)CC2C(=O)N(C(C(=O)N2)CCN)CC3=CC=C(C=C3)O

InChI

InChI=1S/C20H23N3O4/c21-9-8-18-19(26)22-17(11-14-2-1-3-16(25)10-14)20(27)23(18)12-13-4-6-15(24)7-5-13/h1-7,10,17-18,24-25H,8-9,11-12,21H2,(H,22,26)