3-(cyclohexylmethyl)-1-(4-dimethylaminophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(cyclohexylmethyl)-1-(4-dimethylaminophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(cyclohexylmethyl)-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(cyclohexylmethyl)-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(cyclohexylmethyl)-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(cyclohexylmethyl)-1-(4-dimethylaminophenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C3C(C(=O)NC3=O)C(N2)(CC4CCCCC4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C3C(C(=O)NC3=O)C(N2)(CC4CCCCC4)C(=O)O

InChI

InChI=1S/C22H29N3O4/c1-25(2)15-10-8-14(9-11-15)18-16-17(20(27)23-19(16)26)22(24-18,21(28)29)12-13-6-4-3-5-7-13/h8-11,13,16-18,24H,3-7,12H2,1-2H3,(H,28,29)(H,23,26,27)