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

Systemtic Name: 3-[[(3-fluorophenyl)methylamino]methyl]-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-[[(3-fluorophenyl)methylamino]methyl]indole-2-carboxylic acid CAS Name: 3-[[(3-fluorophenyl)methylamino]methyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[[(3-fluorophenyl)methylamino]methyl]indole-2-carboxylic acid Traditional Name: 1-benzyl-3-[[(3-fluorobenzyl)amino]methyl]indole-2-carboxylic acid Formula: C24H21FN2O2 MolecularWeight: 388.434143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNCC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNCC4=CC(=CC=C4)F

InChI

InChI=1S/C24H21FN2O2/c25-19-10-6-9-18(13-19)14-26-15-21-20-11-4-5-12-22(20)27(23(21)24(28)29)16-17-7-2-1-3-8-17/h1-13,26H,14-16H2,(H,28,29)