1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-5-(2-phenoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-5-(2-phenoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-5-(2-phenoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-5-(2-phenoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-5-(2-phenoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(1H-indol-3-ylmethyl)-4,6-diketo-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-(2-phenoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C35H33N5O6 MolecularWeight: 619.66642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CCOC5=CC=CC=C5)C(N3)(CC6=CNC7=CC=CC=C76)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CCOC5=CC=CC=C5)C(N3)(CC6=CNC7=CC=CC=C76)C(=O)O

InChI

InChI=1S/C35H33N5O6/c1-21-27(32(42)40(38(21)2)23-11-5-3-6-12-23)30-28-29(33(43)39(31(28)41)17-18-46-24-13-7-4-8-14-24)35(37-30,34(44)45)19-22-20-36-26-16-10-9-15-25(22)26/h3-16,20,28-30,36-37H,17-19H2,1-2H3,(H,44,45)