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

Systemtic Name: ethyl 6-[3-(1-adamantylcarbonylamino)phenyl]-3-butyl-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(adamantane-1-carbonylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[1-adamantyl(oxo)methyl]amino]phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(adamantane-1-carbonylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(adamantane-1-carbonylamino)phenyl]-3-butyl-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C34H41N3O4 MolecularWeight: 555.70704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCC)C6=CC=CC=C6

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCC)C6=CC=CC=C6

InChI

InChI=1S/C34H41N3O4/c1-3-5-14-37-30(25-10-7-6-8-11-25)28(31(38)41-4-2)29(36-33(37)40)26-12-9-13-27(18-26)35-32(39)34-19-22-15-23(20-34)17-24(16-22)21-34/h6-13,18,22-24,29H,3-5,14-17,19-21H2,1-2H3,(H,35,39)(H,36,40)