5-[[1-[(4-fluorophenyl)methyl]-3-phenylmethoxy-indol-2-yl]carbonylamino]pyridine-3-carboxylic acid

Systemtic Name: 5-[[1-[(4-fluorophenyl)methyl]-3-phenylmethoxy-indol-2-yl]carbonylamino]pyridine-3-carboxylic acid Openeye Name: 5-[[3-benzyloxy-1-[(4-fluorophenyl)methyl]indole-2-carbonyl]amino]pyridine-3-carboxylic acid CAS Name: 5-[[[1-[(4-fluorophenyl)methyl]-3-phenylmethoxy-2-indolyl]-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[[1-[(4-fluorophenyl)methyl]-3-phenylmethoxyindole-2-carbonyl]amino]pyridine-3-carboxylic acid Traditional Name: 5-[[3-benzoxy-1-(4-fluorobenzyl)indole-2-carbonyl]amino]nicotinic 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=CC=CC=C32)CC4=CC=C(C=C4)F)C(=O)NC5=CN=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C(=O)NC5=CN=CC(=C5)C(=O)O

InChI

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