4-[[(2S,4S)-1-[2-[3-chloranyl-4-[(5-fluoranyl-2-methyl-phenyl)carbamoylamino]phenyl]ethanoyl]-4-fluoranyl-pyrrolidin-2-yl]methoxy]benzoic acid

Systemtic Name: 4-[[(2S,4S)-1-[2-[3-chloranyl-4-[(5-fluoranyl-2-methyl-phenyl)carbamoylamino]phenyl]ethanoyl]-4-fluoranyl-pyrrolidin-2-yl]methoxy]benzoic acid Openeye Name: 4-[[(2S,4S)-1-[2-[3-chloro-4-[(5-fluoro-2-methyl-phenyl)carbamoylamino]phenyl]acetyl]-4-fluoro-pyrrolidin-2-yl]methoxy]benzoic acid CAS Name: 4-[[(2S,4S)-1-[2-[3-chloro-4-[[(5-fluoro-2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-4-fluoro-2-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[(2S,4S)-1-[2-[3-chloro-4-[(5-fluoro-2-methylphenyl)carbamoylamino]phenyl]acetyl]-4-fluoropyrrolidin-2-yl]methoxy]benzoic acid Traditional Name: 4-[[(2S,4S)-1-[2-[3-chloro-4-[(5-fluoro-2-methyl-phenyl)carbamoylamino]phenyl]acetyl]-4-fluoro-pyrrolidin-2-yl]methoxy]benzoic acid Formula: C28H26ClF2N3O5 MolecularWeight: 557.972946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)NC2=C(C=C(C=C2)CC(=O)N3CC(CC3COC4=CC=C(C=C4)C(=O)O)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)NC2=C(C=C(C=C2)CC(=O)N3C[C@H](C[C@H]3COC4=CC=C(C=C4)C(=O)O)F)Cl

InChI

InChI=1S/C28H26ClF2N3O5/c1-16-2-6-19(30)13-25(16)33-28(38)32-24-9-3-17(10-23(24)29)11-26(35)34-14-20(31)12-21(34)15-39-22-7-4-18(5-8-22)27(36)37/h2-10,13,20-21H,11-12,14-15H2,1H3,(H,36,37)(H2,32,33,38)/t20-,21-/m0/s1