2-[4-(4-methoxyphenyl)-1-oxidanylidene-pyrazino[1,2-a]indol-2-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)-1-oxidanylidene-pyrazino[1,2-a]indol-2-yl]-3-phenyl-propanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)-1-oxo-pyrazino[1,2-a]indol-2-yl]-3-phenyl-propanoic acid CAS Name: 2-[4-(4-methoxyphenyl)-1-oxo-2-pyrazino[1,2-a]indolyl]-3-phenylpropanoic acid IUPAC Name: 2-[4-(4-methoxyphenyl)-1-oxopyrazino[1,2-a]indol-2-yl]-3-phenylpropanoic acid Traditional Name: 2-[1-keto-4-(4-methoxyphenyl)pyrazin[1,2-a]indol-2-yl]-3-phenyl-propionic acid Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(C(=O)C3=CC4=CC=CC=C4N32)C(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(C(=O)C3=CC4=CC=CC=C4N32)C(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H22N2O4/c1-33-21-13-11-19(12-14-21)25-17-28(24(27(31)32)15-18-7-3-2-4-8-18)26(30)23-16-20-9-5-6-10-22(20)29(23)25/h2-14,16-17,24H,15H2,1H3,(H,31,32)