5-but-3-ynyl-3-(carboxymethyl)-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-(carboxymethyl)-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-(carboxymethyl)-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-(carboxymethyl)-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-(carboxymethyl)-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-but-3-ynyl-3-(carboxymethyl)-4,6-diketo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H22N2O6 MolecularWeight: 446.45198

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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)(CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O6/c1-2-3-13-27-22(30)19-20(23(27)31)25(24(32)33,14-18(28)29)26-21(19)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h1,4-12,19-21,26H,3,13-14H2,(H,28,29)(H,32,33)