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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC(=CC=C4)F)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC(=CC=C4)F)C(=O)O

InChI

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