(3S,6S)-6-(4-azanylbutyl)-3-[(4-methoxyphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperazine-2,5-dione

Systemtic Name: (3S,6S)-6-(4-azanylbutyl)-3-[(4-methoxyphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperazine-2,5-dione Openeye Name: (3S,6S)-6-(4-aminobutyl)-3-[(4-methoxyphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperazine-2,5-dione CAS Name: (3S,6S)-6-(4-aminobutyl)-3-[(4-methoxyphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperazine-2,5-dione IUPAC Name: (3S,6S)-6-(4-aminobutyl)-3-[(4-methoxyphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperazine-2,5-dione Traditional Name: (3S,6S)-6-(4-aminobutyl)-3-p-anisyl-1-(4-phenoxybenzyl)piperazine-2,5-quinone Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C(=O)N(C(C(=O)N2)CCCCN)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H]2C(=O)N([C@H](C(=O)N2)CCCCN)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-35-23-14-10-21(11-15-23)19-26-29(34)32(27(28(33)31-26)9-5-6-18-30)20-22-12-16-25(17-13-22)36-24-7-3-2-4-8-24/h2-4,7-8,10-17,26-27H,5-6,9,18-20,30H2,1H3,(H,31,33)/t26-,27-/m0/s1