methyl 3-cyclopropyl-2-oxidanylidene-4-[(3-oxidanylpiperidin-1-yl)methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-cyclopropyl-2-oxidanylidene-4-[(3-oxidanylpiperidin-1-yl)methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-4-[(3-hydroxy-1-piperidyl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-4-[(3-hydroxy-1-piperidinyl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-4-[(3-hydroxypiperidin-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-4-[(3-hydroxypiperidino)methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CN4CCCC(C4)O

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CN4CCCC(C4)O

InChI

InChI=1S/C21H27N3O4/c1-28-20(26)18-17(13-23-11-5-8-16(25)12-23)24(15-9-10-15)21(27)22-19(18)14-6-3-2-4-7-14/h2-4,6-7,15-16,19,25H,5,8-13H2,1H3,(H,22,27)