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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-6-methyl-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)methyl]-6-methyl-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid CAS Name: 1-[(3-fluorophenyl)methyl]-6-methyl-3-[[(4-methylcyclohexyl)amino]methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-6-methyl-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid Traditional Name: 1-(3-fluorobenzyl)-6-methyl-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid Formula: C25H29FN2O2 MolecularWeight: 408.508363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC(=CC=C4)F)C(=O)O

Isomeric SMILES

CC1CCC(CC1)NCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC(=CC=C4)F)C(=O)O

InChI

InChI=1S/C25H29FN2O2/c1-16-6-9-20(10-7-16)27-14-22-21-11-8-17(2)12-23(21)28(24(22)25(29)30)15-18-4-3-5-19(26)13-18/h3-5,8,11-13,16,20,27H,6-7,9-10,14-15H2,1-2H3,(H,29,30)