2-[3-[(4-hydroxyphenyl)methyl]-1,4-bis(oxidanylidene)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]pentanoic acid

Systemtic Name: 2-[3-[(4-hydroxyphenyl)methyl]-1,4-bis(oxidanylidene)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]pentanoic acid Openeye Name: 2-[3-[(4-hydroxyphenyl)methyl]-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]pentanoic acid CAS Name: 2-[3-[(4-hydroxyphenyl)methyl]-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]pentanoic acid IUPAC Name: 2-[3-[(4-hydroxyphenyl)methyl]-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]pentanoic acid Traditional Name: 2-[3-(4-hydroxybenzyl)-1,4-diketo-3,6,11,11a-tetrahydropyrazin[1,2-b]isoquinolin-2-yl]valeric acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1C(C(=O)N2CC3=CC=CC=C3CC2C1=O)CC4=CC=C(C=C4)O

Isomeric SMILES

CCCC(C(=O)O)N1C(C(=O)N2CC3=CC=CC=C3CC2C1=O)CC4=CC=C(C=C4)O

InChI

InChI=1S/C24H26N2O5/c1-2-5-19(24(30)31)26-21(12-15-8-10-18(27)11-9-15)22(28)25-14-17-7-4-3-6-16(17)13-20(25)23(26)29/h3-4,6-11,19-21,27H,2,5,12-14H2,1H3,(H,30,31)