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

Systemtic Name: ethyl (4S)-6-[(4-benzamidopiperidin-1-yl)methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-benzamido-1-piperidyl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-benzamido-1-piperidinyl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-benzamidopiperidin-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-benzamidopiperidino)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2CCC(CC2)NC(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN2CCC(CC2)NC(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H30N4O4/c1-3-17-19(21(28)30-4-2)18(25-22(29)24-17)14-26-12-10-16(11-13-26)23-20(27)15-8-6-5-7-9-15/h5-9,16-17H,3-4,10-14H2,1-2H3,(H,23,27)(H2,24,25,29)/t17-/m0/s1