(4R)-1-[4-[(2-chloranyl-5-fluoranyl-phenyl)carbonylamino]-2-methoxy-phenyl]carbonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid

Systemtic Name: (4R)-1-[4-[(2-chloranyl-5-fluoranyl-phenyl)carbonylamino]-2-methoxy-phenyl]carbonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid Openeye Name: (4R)-1-[4-[(2-chloro-5-fluoro-benzoyl)amino]-2-methoxy-benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid CAS Name: (4R)-1-[[4-[[(2-chloro-5-fluorophenyl)-oxomethyl]amino]-2-methoxyphenyl]-oxomethyl]-1'-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]carboxylic acid IUPAC Name: (4R)-1-[4-[(2-chloro-5-fluorobenzoyl)amino]-2-methoxybenzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid Traditional Name: (4R)-1-[4-[(2-chloro-5-fluoro-benzoyl)amino]-2-methoxy-benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid Formula: C30H26ClFN2O5 MolecularWeight: 548.989243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)F)Cl)C(=O)N3CCC4(CCC(=C4)C(=O)O)CC5=CC=CC=C53

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)F)Cl)C(=O)N3CC[C@@]4(CCC(=C4)C(=O)O)CC5=CC=CC=C53

InChI

InChI=1S/C30H26ClFN2O5/c1-39-26-15-21(33-27(35)23-14-20(32)6-9-24(23)31)7-8-22(26)28(36)34-13-12-30(11-10-19(17-30)29(37)38)16-18-4-2-3-5-25(18)34/h2-9,14-15,17H,10-13,16H2,1H3,(H,33,35)(H,37,38)/t30-/m0/s1