1,3-bis(oxidanylidene)-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-prop-2-ynoxy-phenyl]isoindole-5-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-prop-2-ynoxy-phenyl]isoindole-5-carboxylic acid Openeye Name: 1,3-dioxo-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-prop-2-ynoxy-phenyl]isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-prop-2-ynoxyphenyl]-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-prop-2-ynoxyphenyl]isoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-propargyloxy-phenyl]isoindoline-5-carboxylic acid Formula: C31H18N2O6 MolecularWeight: 514.48442

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC=CC=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC=CC=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O

InChI

InChI=1S/C31H18N2O6/c1-2-14-38-27-13-10-20(28-32-24-16-19(9-12-26(24)39-28)18-6-4-3-5-7-18)17-25(27)33-29(34)22-11-8-21(31(36)37)15-23(22)30(33)35/h1,3-13,15-17H,14H2,(H,36,37)