1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-6-methoxy-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-6-methoxy-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-6-methoxy-3-[(2-thienylmethylamino)methyl]indole-2-carboxylic acid CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-[(thiophen-2-ylmethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-6-methoxy-3-[(2-thenylamino)methyl]indole-2-carboxylic acid Formula: C23H20ClFN2O3S MolecularWeight: 458.932903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2CC3=C(C=C(C=C3)F)Cl)C(=O)O)CNCC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=C(C=C(C=C3)F)Cl)C(=O)O)CNCC4=CC=CS4

InChI

InChI=1S/C23H20ClFN2O3S/c1-30-16-6-7-18-19(12-26-11-17-3-2-8-31-17)22(23(28)29)27(21(18)10-16)13-14-4-5-15(25)9-20(14)24/h2-10,26H,11-13H2,1H3,(H,28,29)