1-[(4-fluorophenyl)methyl]-6-methyl-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)methyl]-6-methyl-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methyl]-6-methyl-3-[(2-thienylmethylamino)methyl]indole-2-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-6-methyl-3-[(thiophen-2-ylmethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-6-methyl-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-6-methyl-3-[(2-thenylamino)methyl]indole-2-carboxylic acid Formula: C23H21FN2O2S MolecularWeight: 408.488443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)F)C(=O)O)CNCC4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)F)C(=O)O)CNCC4=CC=CS4

InChI

InChI=1S/C23H21FN2O2S/c1-15-4-9-19-20(13-25-12-18-3-2-10-29-18)22(23(27)28)26(21(19)11-15)14-16-5-7-17(24)8-6-16/h2-11,25H,12-14H2,1H3,(H,27,28)