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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-6-methoxy-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-[(2-fluorophenyl)methyl]-6-methoxy-3-[(2-thienylmethylamino)methyl]indole-2-carboxylic acid CAS Name: 1-[(2-fluorophenyl)methyl]-6-methoxy-3-[(thiophen-2-ylmethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(2-fluorophenyl)methyl]-6-methoxy-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-(2-fluorobenzyl)-6-methoxy-3-[(2-thenylamino)methyl]indole-2-carboxylic acid Formula: C23H21FN2O3S MolecularWeight: 424.487843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3F)C(=O)O)CNCC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3F)C(=O)O)CNCC4=CC=CS4

InChI

InChI=1S/C23H21FN2O3S/c1-29-16-8-9-18-19(13-25-12-17-6-4-10-30-17)22(23(27)28)26(21(18)11-16)14-15-5-2-3-7-20(15)24/h2-11,25H,12-14H2,1H3,(H,27,28)