ethyl 6-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-3-butyl-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-3-butyl-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-phenyl-6-[3-(piperonyloylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H31N3O6 MolecularWeight: 541.59434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O6/c1-3-5-16-34-28(20-10-7-6-8-11-20)26(30(36)38-4-2)27(33-31(34)37)21-12-9-13-23(17-21)32-29(35)22-14-15-24-25(18-22)40-19-39-24/h6-15,17-18,27H,3-5,16,19H2,1-2H3,(H,32,35)(H,33,37)