4-[2,4-bis(fluoranyl)phenoxy]-4-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-1-(pyrrolidin-2-ylmethoxy)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-[2,4-bis(fluoranyl)phenoxy]-4-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-1-(pyrrolidin-2-ylmethoxy)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-(2,4-difluorophenoxy)-4-[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-1-(pyrrolidin-2-ylmethoxy)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-(2,4-difluorophenoxy)-4-[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-1-(2-pyrrolidinylmethoxy)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-(2,4-difluorophenoxy)-4-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-1-(pyrrolidin-2-ylmethoxy)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-(2,4-difluorophenoxy)-4-[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-1-(pyrrolidin-2-ylmethoxy)cyclohexa-2,5-diene-1-carboxylic acid Formula: C35H35F2N3O7 MolecularWeight: 647.665106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C3(C=CC(C=C3)(C(=O)O)OCC4CCCN4)OC5=C(C=C(C=C5)F)F)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C3(C=CC(C=C3)(C(=O)O)OCC4CCCN4)OC5=C(C=C(C=C5)F)F)OC

InChI

InChI=1S/C35H35F2N3O7/c1-22-6-3-4-8-27(22)39-33(44)40-28-11-9-23(18-30(28)45-2)19-31(41)34(47-29-12-10-24(36)20-26(29)37)13-15-35(16-14-34,32(42)43)46-21-25-7-5-17-38-25/h3-4,6,8-16,18,20,25,38H,5,7,17,19,21H2,1-2H3,(H,42,43)(H2,39,40,44)