methyl (2S,4S)-4-butyl-6-methoxy-3-(phenylcarbonyl)-2-propan-2-yl-2,5-dihydropyrimidine-4-carboxylate

Systemtic Name: methyl (2S,4S)-4-butyl-6-methoxy-3-(phenylcarbonyl)-2-propan-2-yl-2,5-dihydropyrimidine-4-carboxylate Openeye Name: methyl (2S,4S)-3-benzoyl-4-butyl-2-isopropyl-6-methoxy-2,5-dihydropyrimidine-4-carboxylate CAS Name: (2S,4S)-3-benzoyl-4-butyl-6-methoxy-2-propan-2-yl-2,5-dihydropyrimidine-4-carboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-3-benzoyl-4-butyl-6-methoxy-2-propan-2-yl-2,5-dihydropyrimidine-4-carboxylate Traditional Name: (2S,4S)-3-benzoyl-4-butyl-2-isopropyl-6-methoxy-2,5-dihydropyrimidine-4-carboxylic acid methyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(=NC(N1C(=O)C2=CC=CC=C2)C(C)C)OC)C(=O)OC

Isomeric SMILES

CCCC[C@]1(CC(=N[C@@H](N1C(=O)C2=CC=CC=C2)C(C)C)OC)C(=O)OC

InChI

InChI=1S/C21H30N2O4/c1-6-7-13-21(20(25)27-5)14-17(26-4)22-18(15(2)3)23(21)19(24)16-11-9-8-10-12-16/h8-12,15,18H,6-7,13-14H2,1-5H3/t18-,21-/m0/s1