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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methyl]-6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid Formula: C25H29FN2O3 MolecularWeight: 424.507763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O3/c1-16-3-9-19(10-4-16)27-14-22-21-12-11-20(31-2)13-23(21)28(24(22)25(29)30)15-17-5-7-18(26)8-6-17/h5-8,11-13,16,19,27H,3-4,9-10,14-15H2,1-2H3,(H,29,30)