2-(4-hydroxyphenyl)ethyl (6S,9aS)-4,7-bis(oxidanylidene)-8-phenethyl-6-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate

Systemtic Name: 2-(4-hydroxyphenyl)ethyl (6S,9aS)-4,7-bis(oxidanylidene)-8-phenethyl-6-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate Openeye Name: 2-(4-hydroxyphenyl)ethyl (6S,9aS)-6-benzyl-4,7-dioxo-8-phenethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate CAS Name: (6S,9aS)-4,7-dioxo-8-phenethyl-6-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylic acid 2-(4-hydroxyphenyl)ethyl ester IUPAC Name: 2-(4-hydroxyphenyl)ethyl (6S,9aS)-6-benzyl-4,7-dioxo-8-phenethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate Traditional Name: (6S,9aS)-6-benzyl-4,7-diketo-8-phenethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylic acid 2-(4-hydroxyphenyl)ethyl ester Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2CN(C(=O)C(N2C1=O)CC3=CC=CC=C3)CCC4=CC=CC=C4)C(=O)OCCC5=CC=C(C=C5)O

Isomeric SMILES

C1CN([C@H]2CN(C(=O)[C@@H](N2C1=O)CC3=CC=CC=C3)CCC4=CC=CC=C4)C(=O)OCCC5=CC=C(C=C5)O

InChI

InChI=1S/C31H33N3O5/c35-26-13-11-24(12-14-26)17-20-39-31(38)33-19-16-29(36)34-27(21-25-9-5-2-6-10-25)30(37)32(22-28(33)34)18-15-23-7-3-1-4-8-23/h1-14,27-28,35H,15-22H2/t27-,28+/m0/s1