diethyl 6a-azanyl-3a-cyano-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl 6a-azanyl-3a-cyano-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate Openeye Name: diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate CAS Name: 6a-amino-1,6-bis[[anilino(oxo)methyl]amino]-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate Traditional Name: 6a-amino-3a-cyano-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C29H32N8O6 MolecularWeight: 588.61438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)NC3=CC=CC=C3)C)C(=O)OCC)C#N)N)NC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)NC3=CC=CC=C3)C)C(=O)OCC)C#N)N)NC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C29H32N8O6/c1-5-42-24(38)22-18(3)36(34-26(40)32-20-13-9-7-10-14-20)29(31)28(22,17-30)23(25(39)43-6-2)19(4)37(29)35-27(41)33-21-15-11-8-12-16-21/h7-16H,5-6,31H2,1-4H3,(H2,32,34,40)(H2,33,35,41)