5-but-3-ynyl-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-but-3-ynyl-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-but-3-ynyl-3-(hydroxymethyl)-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-but-3-ynyl-3-(hydroxymethyl)-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-but-3-ynyl-3-(hydroxymethyl)-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-but-3-ynyl-4,6-diketo-3-methylol-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C4=CC=CC=C4)(CO)C(=O)O

Isomeric SMILES

C#CCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C4=CC=CC=C4)(CO)C(=O)O

InChI

InChI=1S/C24H22N2O5/c1-2-3-13-26-21(28)18-19(22(26)29)24(14-27,23(30)31)25-20(18)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h1,4-12,18-20,25,27H,3,13-14H2,(H,30,31)