3-[(cyclohexylamino)methyl]-1-[(4-fluorophenyl)methyl]-6-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[(cyclohexylamino)methyl]-1-[(4-fluorophenyl)methyl]-6-methyl-indole-2-carboxylic acid Openeye Name: 3-[(cyclohexylamino)methyl]-1-[(4-fluorophenyl)methyl]-6-methyl-indole-2-carboxylic acid CAS Name: 3-[(cyclohexylamino)methyl]-1-[(4-fluorophenyl)methyl]-6-methyl-2-indolecarboxylic acid IUPAC Name: 3-[(cyclohexylamino)methyl]-1-[(4-fluorophenyl)methyl]-6-methylindole-2-carboxylic acid Traditional Name: 3-[(cyclohexylamino)methyl]-1-(4-fluorobenzyl)-6-methyl-indole-2-carboxylic acid Formula: C24H27FN2O2 MolecularWeight: 394.481783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)F)C(=O)O)CNC4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)F)C(=O)O)CNC4CCCCC4

InChI

InChI=1S/C24H27FN2O2/c1-16-7-12-20-21(14-26-19-5-3-2-4-6-19)23(24(28)29)27(22(20)13-16)15-17-8-10-18(25)11-9-17/h7-13,19,26H,2-6,14-15H2,1H3,(H,28,29)