2-[4-chloranyl-3-[2-[(2R,6S)-2,6-dimethyl-4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-3-[2-[(2R,6S)-2,6-dimethyl-4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanoic acid Openeye Name: 2-[4-chloro-3-[2-[(2R,6S)-2,6-dimethyl-4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]ethoxy]phenyl]acetic acid CAS Name: 2-[4-chloro-3-[2-[(2R,6S)-2,6-dimethyl-4-(5-phenyl-2-pyrimidinyl)-1-piperazinyl]ethoxy]phenyl]acetic acid IUPAC Name: 2-[4-chloro-3-[2-[(2R,6S)-2,6-dimethyl-4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]ethoxy]phenyl]acetic acid Traditional Name: 2-[4-chloro-3-[2-[(2R,6S)-2,6-dimethyl-4-(5-phenylpyrimidin-2-yl)piperazino]ethoxy]phenyl]acetic acid Formula: C26H29ClN4O3 MolecularWeight: 480.98646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CCOC2=C(C=CC(=C2)CC(=O)O)Cl)C)C3=NC=C(C=N3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1CCOC2=C(C=CC(=C2)CC(=O)O)Cl)C)C3=NC=C(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C26H29ClN4O3/c1-18-16-30(26-28-14-22(15-29-26)21-6-4-3-5-7-21)17-19(2)31(18)10-11-34-24-12-20(13-25(32)33)8-9-23(24)27/h3-9,12,14-15,18-19H,10-11,13,16-17H2,1-2H3,(H,32,33)/t18-,19+