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

Systemtic Name: 3-[[(2-ethoxyphenyl)methylamino]methyl]-1-[(4-fluorophenyl)methyl]-6-methyl-indole-2-carboxylic acid Openeye Name: 3-[[(2-ethoxyphenyl)methylamino]methyl]-1-[(4-fluorophenyl)methyl]-6-methyl-indole-2-carboxylic acid CAS Name: 3-[[(2-ethoxyphenyl)methylamino]methyl]-1-[(4-fluorophenyl)methyl]-6-methyl-2-indolecarboxylic acid IUPAC Name: 3-[[(2-ethoxyphenyl)methylamino]methyl]-1-[(4-fluorophenyl)methyl]-6-methylindole-2-carboxylic acid Traditional Name: 3-[[(2-ethoxybenzyl)amino]methyl]-1-(4-fluorobenzyl)-6-methyl-indole-2-carboxylic acid Formula: C27H27FN2O3 MolecularWeight: 446.513283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1CNCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C27H27FN2O3/c1-3-33-25-7-5-4-6-20(25)15-29-16-23-22-13-8-18(2)14-24(22)30(26(23)27(31)32)17-19-9-11-21(28)12-10-19/h4-14,29H,3,15-17H2,1-2H3,(H,31,32)