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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-3-[(furan-2-ylmethylamino)methyl]-6-methoxy-indole-2-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)methyl]-3-[(2-furylmethylamino)methyl]-6-methoxy-indole-2-carboxylic acid CAS Name: 1-[(3-fluorophenyl)methyl]-3-[(2-furanylmethylamino)methyl]-6-methoxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-3-[(furan-2-ylmethylamino)methyl]-6-methoxyindole-2-carboxylic acid Traditional Name: 1-(3-fluorobenzyl)-3-[(2-furfurylamino)methyl]-6-methoxy-indole-2-carboxylic acid Formula: C23H21FN2O4 MolecularWeight: 408.422243

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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)CNCC4=CC=CO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=CC(=CC=C3)F)C(=O)O)CNCC4=CC=CO4

InChI

InChI=1S/C23H21FN2O4/c1-29-17-7-8-19-20(13-25-12-18-6-3-9-30-18)22(23(27)28)26(21(19)11-17)14-15-4-2-5-16(24)10-15/h2-11,25H,12-14H2,1H3,(H,27,28)