3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(1H-indol-3-ylmethyl)-4,6-dioxo-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(1H-indol-3-ylmethyl)-4,6-dioxo-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(1H-indol-3-ylmethyl)-4,6-dioxo-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(1H-indol-3-ylmethyl)-4,6-diketo-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C3C(C(=O)NC3=O)C(N2)(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C3C(C(=O)NC3=O)C(N2)(CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C25H25N3O5/c1-2-11-33-16-9-7-14(8-10-16)21-19-20(23(30)27-22(19)29)25(28-21,24(31)32)12-15-13-26-18-6-4-3-5-17(15)18/h3-10,13,19-21,26,28H,2,11-12H2,1H3,(H,31,32)(H,27,29,30)