[4-[2-[(2S)-2-methylbutoxy]pyrimidin-5-yl]phenyl] (2S)-2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-[2-[(2S)-2-methylbutoxy]pyrimidin-5-yl]phenyl] (2S)-2-chloranyl-3-methyl-pentanoate Openeye Name: [4-[2-[(2S)-2-methylbutoxy]pyrimidin-5-yl]phenyl] (2S)-2-chloro-3-methyl-pentanoate CAS Name: (2S)-2-chloro-3-methylpentanoic acid [4-[2-[(2S)-2-methylbutoxy]-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-[(2S)-2-methylbutoxy]pyrimidin-5-yl]phenyl] (2S)-2-chloro-3-methylpentanoate Traditional Name: (2S)-2-chloro-3-methyl-valeric acid [4-[2-[(2S)-2-methylbutoxy]pyrimidin-5-yl]phenyl] ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CC[C@H](C)COC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)[C@H](C(C)CC)Cl

InChI

InChI=1S/C21H27ClN2O3/c1-5-14(3)13-26-21-23-11-17(12-24-21)16-7-9-18(10-8-16)27-20(25)19(22)15(4)6-2/h7-12,14-15,19H,5-6,13H2,1-4H3/t14-,15?,19-/m0/s1