1-[(4-fluorophenyl)methyl]-3-phenylmethoxy-2-(pyridin-3-ylcarbamoyl)indole-5-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-phenylmethoxy-2-(pyridin-3-ylcarbamoyl)indole-5-carboxylic acid Openeye Name: 3-benzyloxy-1-[(4-fluorophenyl)methyl]-2-(3-pyridylcarbamoyl)indole-5-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-2-[oxo-(3-pyridinylamino)methyl]-3-phenylmethoxy-5-indolecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-phenylmethoxy-2-(pyridin-3-ylcarbamoyl)indole-5-carboxylic acid Traditional Name: 3-benzoxy-1-(4-fluorobenzyl)-2-(3-pyridylcarbamoyl)indole-5-carboxylic acid Formula: C29H22FN3O4 MolecularWeight: 495.501083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(N(C3=C2C=C(C=C3)C(=O)O)CC4=CC=C(C=C4)F)C(=O)NC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(N(C3=C2C=C(C=C3)C(=O)O)CC4=CC=C(C=C4)F)C(=O)NC5=CN=CC=C5

InChI

InChI=1S/C29H22FN3O4/c30-22-11-8-19(9-12-22)17-33-25-13-10-21(29(35)36)15-24(25)27(37-18-20-5-2-1-3-6-20)26(33)28(34)32-23-7-4-14-31-16-23/h1-16H,17-18H2,(H,32,34)(H,35,36)