3-[(cycloheptylamino)methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-indole-2-carboxylic acid

Systemtic Name: 3-[(cycloheptylamino)methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-indole-2-carboxylic acid Openeye Name: 3-[(cycloheptylamino)methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-indole-2-carboxylic acid CAS Name: 3-[(cycloheptylamino)methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-2-indolecarboxylic acid IUPAC Name: 3-[(cycloheptylamino)methyl]-1-[(2-fluorophenyl)methyl]-6-methoxyindole-2-carboxylic acid Traditional Name: 3-[(cycloheptylamino)methyl]-1-(2-fluorobenzyl)-6-methoxy-indole-2-carboxylic acid Formula: C25H29FN2O3 MolecularWeight: 424.507763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3F)C(=O)O)CNC4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3F)C(=O)O)CNC4CCCCCC4

InChI

InChI=1S/C25H29FN2O3/c1-31-19-12-13-20-21(15-27-18-9-4-2-3-5-10-18)24(25(29)30)28(23(20)14-19)16-17-8-6-7-11-22(17)26/h6-8,11-14,18,27H,2-5,9-10,15-16H2,1H3,(H,29,30)