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

Systemtic Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-indole-2-carboxylic acid Openeye Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-indole-2-carboxylic acid CAS Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-2-indolecarboxylic acid IUPAC Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-6-methoxyindole-2-carboxylic acid Traditional Name: 3-[[(4-ethoxybenzyl)amino]methyl]-1-(2-fluorobenzyl)-6-methoxy-indole-2-carboxylic acid Formula: C27H27FN2O4 MolecularWeight: 462.512683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4F)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4F)C(=O)O

InChI

InChI=1S/C27H27FN2O4/c1-3-34-20-10-8-18(9-11-20)15-29-16-23-22-13-12-21(33-2)14-25(22)30(26(23)27(31)32)17-19-6-4-5-7-24(19)28/h4-14,29H,3,15-17H2,1-2H3,(H,31,32)