4-[2-[[4-[2-[3,3-bis(fluoranyl)pyrrolidin-1-yl]ethyl-[(2-bromophenyl)carbamoyl]amino]-3-methoxy-phenyl]-ethanoyl-amino]ethoxy]benzoic acid

Systemtic Name: 4-[2-[[4-[2-[3,3-bis(fluoranyl)pyrrolidin-1-yl]ethyl-[(2-bromophenyl)carbamoyl]amino]-3-methoxy-phenyl]-ethanoyl-amino]ethoxy]benzoic acid Openeye Name: 4-[2-[N-acetyl-4-[(2-bromophenyl)carbamoyl-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]amino]-3-methoxy-anilino]ethoxy]benzoic acid CAS Name: 4-[2-[N-acetyl-4-[[(2-bromoanilino)-oxomethyl]-[2-(3,3-difluoro-1-pyrrolidinyl)ethyl]amino]-3-methoxyanilino]ethoxy]benzoic acid IUPAC Name: 4-[2-[N-acetyl-4-[(2-bromophenyl)carbamoyl-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]amino]-3-methoxyanilino]ethoxy]benzoic acid Traditional Name: 4-[2-[N-acetyl-4-[(2-bromophenyl)carbamoyl-[2-(3,3-difluoropyrrolidino)ethyl]amino]-3-methoxy-anilino]ethoxy]benzoic acid Formula: C31H33BrF2N4O6 MolecularWeight: 675.517726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCOC1=CC=C(C=C1)C(=O)O)C2=CC(=C(C=C2)N(CCN3CCC(C3)(F)F)C(=O)NC4=CC=CC=C4Br)OC

Isomeric SMILES

CC(=O)N(CCOC1=CC=C(C=C1)C(=O)O)C2=CC(=C(C=C2)N(CCN3CCC(C3)(F)F)C(=O)NC4=CC=CC=C4Br)OC

InChI

InChI=1S/C31H33BrF2N4O6/c1-21(39)37(17-18-44-24-10-7-22(8-11-24)29(40)41)23-9-12-27(28(19-23)43-2)38(16-15-36-14-13-31(33,34)20-36)30(42)35-26-6-4-3-5-25(26)32/h3-12,19H,13-18,20H2,1-2H3,(H,35,42)(H,40,41)