2-hexyldecyl 7-(4-chlorophenyl)-2-methyl-4-oxidanylidene-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: 2-hexyldecyl 7-(4-chlorophenyl)-2-methyl-4-oxidanylidene-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: 2-hexyldecyl 7-(4-chlorophenyl)-2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 7-(4-chlorophenyl)-2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid 2-hexyldecyl ester IUPAC Name: 2-hexyldecyl 7-(4-chlorophenyl)-2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 7-(4-chlorophenyl)-4-keto-2-methyl-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid 2-hexyldecyl ester Formula: C31H43ClN2O3 MolecularWeight: 527.13772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC(=O)C1=C(CN2C1=NC(=CC2=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=C(CN2C1=NC(=CC2=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C31H43ClN2O3/c1-4-6-8-10-11-13-15-24(14-12-9-7-5-2)22-37-31(36)29-27(25-16-18-26(32)19-17-25)21-34-28(35)20-23(3)33-30(29)34/h16-20,24H,4-15,21-22H2,1-3H3