methyl 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-carboxylate

Systemtic Name: methyl 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-carboxylate Openeye Name: methyl 4-(2,4-difluorophenoxy)-4-[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-1-(pyrrolidin-2-ylmethoxy)cyclohexa-2,5-diene-1-carboxylate 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 methyl ester IUPAC Name: methyl 4-(2,4-difluorophenoxy)-4-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-1-(pyrrolidin-2-ylmethoxy)cyclohexa-2,5-diene-1-carboxylate 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 methyl ester Formula: C36H37F2N3O7 MolecularWeight: 661.691686

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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)OC)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)OC)OCC4CCCN4)OC5=C(C=C(C=C5)F)F)OC

InChI

InChI=1S/C36H37F2N3O7/c1-23-7-4-5-9-28(23)40-34(44)41-29-12-10-24(19-31(29)45-2)20-32(42)35(48-30-13-11-25(37)21-27(30)38)14-16-36(17-15-35,33(43)46-3)47-22-26-8-6-18-39-26/h4-5,7,9-17,19,21,26,39H,6,8,18,20,22H2,1-3H3,(H2,40,41,44)