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

Systemtic Name: ethyl 6-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-[3-(piperonyloylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H29N3O6 MolecularWeight: 527.56776

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=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

CCCN1C(=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/C30H29N3O6/c1-3-15-33-27(19-9-6-5-7-10-19)25(29(35)37-4-2)26(32-30(33)36)20-11-8-12-22(16-20)31-28(34)21-13-14-23-24(17-21)39-18-38-23/h5-14,16-17,26H,3-4,15,18H2,1-2H3,(H,31,34)(H,32,36)