ethyl 3-ethyl-2-oxidanylidene-6-(3-phenoxyphenyl)-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-6-(3-phenoxyphenyl)-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-2-oxo-6-(3-phenoxyphenyl)-4-(1-piperidylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-6-(3-phenoxyphenyl)-4-(1-piperidinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-6-(3-phenoxyphenyl)-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-(3-phenoxyphenyl)-4-(piperidinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCCCC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCCCC4

InChI

InChI=1S/C27H33N3O4/c1-3-30-23(19-29-16-9-6-10-17-29)24(26(31)33-4-2)25(28-27(30)32)20-12-11-15-22(18-20)34-21-13-7-5-8-14-21/h5,7-8,11-15,18,25H,3-4,6,9-10,16-17,19H2,1-2H3,(H,28,32)