ethyl (4R)-4-ethyl-6-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-ethyl-6-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-ethyl-6-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-ethyl-6-[[(2S)-2-(4-methoxyphenyl)-1-azepanyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-ethyl-6-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-ethyl-2-keto-6-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2CCCCCC2C3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CC[C@@H]1C(=C(NC(=O)N1)CN2CCCCC[C@H]2C3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C23H33N3O4/c1-4-18-21(22(27)30-5-2)19(25-23(28)24-18)15-26-14-8-6-7-9-20(26)16-10-12-17(29-3)13-11-16/h10-13,18,20H,4-9,14-15H2,1-3H3,(H2,24,25,28)/t18-,20+/m1/s1