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

Systemtic Name: ethyl 4-methyl-2-oxidanylidene-6-[[3-(phenylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-2-oxo-6-[[3-(phenylcarbamoyl)-1-piperidyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[3-[anilino(oxo)methyl]-1-piperidinyl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-oxo-6-[[3-(phenylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-methyl-6-[[3-(phenylcarbamoyl)piperidino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CN2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CN2CCCC(C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4/c1-3-29-20(27)18-14(2)22-21(28)24-17(18)13-25-11-7-8-15(12-25)19(26)23-16-9-5-4-6-10-16/h4-6,9-10,14-15H,3,7-8,11-13H2,1-2H3,(H,23,26)(H2,22,24,28)