ethyl 4-[2-ethoxy-6-[(E)-pentadec-8-enyl]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-ethoxy-6-[(E)-pentadec-8-enyl]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-ethoxy-6-[(E)-pentadec-8-enyl]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2-ethoxy-6-[(E)-pentadec-8-enyl]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-ethoxy-6-[(E)-pentadec-8-enyl]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-ethoxy-6-[(E)-pentadec-8-enyl]phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H48N2O4 MolecularWeight: 512.72382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=O)N2)C)C(=O)OCC

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=O)N2)C)C(=O)OCC

InChI

InChI=1S/C31H48N2O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-23-26(36-6-2)28(25)29-27(30(34)37-7-3)24(4)32-31(35)33-29/h12-13,20,22-23,29H,5-11,14-19,21H2,1-4H3,(H2,32,33,35)/b13-12+