3-[[(3-fluorophenyl)methylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-[[(3-fluorophenyl)methylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[[(3-fluorophenyl)methylamino]methyl]-1-(o-tolylmethyl)indole-2-carboxylic acid CAS Name: 3-[[(3-fluorophenyl)methylamino]methyl]-1-[(2-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[[(3-fluorophenyl)methylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[[(3-fluorobenzyl)amino]methyl]-1-(2-methylbenzyl)indole-2-carboxylic acid Formula: C25H23FN2O2 MolecularWeight: 402.460723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=CC=CC=C3C(=C2C(=O)O)CNCC4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC=CC=C1CN2C3=CC=CC=C3C(=C2C(=O)O)CNCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H23FN2O2/c1-17-7-2-3-9-19(17)16-28-23-12-5-4-11-21(23)22(24(28)25(29)30)15-27-14-18-8-6-10-20(26)13-18/h2-13,27H,14-16H2,1H3,(H,29,30)