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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-6-methoxy-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)methyl]-6-methoxy-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid CAS Name: 1-[(3-fluorophenyl)methyl]-6-methoxy-3-[(2-thiophen-2-ylethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-6-methoxy-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-(3-fluorobenzyl)-6-methoxy-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid Formula: C24H23FN2O3S MolecularWeight: 438.514423

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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=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=CC(=CC=C3)F)C(=O)O)CNCCC4=CC=CS4

InChI

InChI=1S/C24H23FN2O3S/c1-30-18-7-8-20-21(14-26-10-9-19-6-3-11-31-19)23(24(28)29)27(22(20)13-18)15-16-4-2-5-17(25)12-16/h2-8,11-13,26H,9-10,14-15H2,1H3,(H,28,29)