1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-6-methoxy-3-[(2-phenylpropylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-6-methoxy-3-[(2-phenylpropylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-6-methoxy-3-[(2-phenylpropylamino)methyl]indole-2-carboxylic acid CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-[(2-phenylpropylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-[(2-phenylpropylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-6-methoxy-3-[(2-phenylpropylamino)methyl]indole-2-carboxylic acid Formula: C27H26ClFN2O3 MolecularWeight: 480.958343

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC1=C(N(C2=C1C=CC(=C2)OC)CC3=C(C=C(C=C3)F)Cl)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(CNCC1=C(N(C2=C1C=CC(=C2)OC)CC3=C(C=C(C=C3)F)Cl)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H26ClFN2O3/c1-17(18-6-4-3-5-7-18)14-30-15-23-22-11-10-21(34-2)13-25(22)31(26(23)27(32)33)16-19-8-9-20(29)12-24(19)28/h3-13,17,30H,14-16H2,1-2H3,(H,32,33)