1-[(3-fluorophenyl)methyl]-6-methoxy-3-[(phenethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(3-fluorophenyl)methyl]-6-methoxy-3-[(phenethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)methyl]-6-methoxy-3-[(phenethylamino)methyl]indole-2-carboxylic acid CAS Name: 1-[(3-fluorophenyl)methyl]-6-methoxy-3-[(phenethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-6-methoxy-3-[(phenethylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-(3-fluorobenzyl)-6-methoxy-3-[(phenethylamino)methyl]indole-2-carboxylic acid Formula: C26H25FN2O3 MolecularWeight: 432.486703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2CC3=CC(=CC=C3)F)C(=O)O)CNCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=CC(=CC=C3)F)C(=O)O)CNCCC4=CC=CC=C4

InChI

InChI=1S/C26H25FN2O3/c1-32-21-10-11-22-23(16-28-13-12-18-6-3-2-4-7-18)25(26(30)31)29(24(22)15-21)17-19-8-5-9-20(27)14-19/h2-11,14-15,28H,12-13,16-17H2,1H3,(H,30,31)