3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[3-(cyclopropylmethoxy)phenyl]-1-(4-fluorobenzyl)indole-2-carboxylic acid Formula: C26H22FNO3 MolecularWeight: 415.456183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=CC=CC(=C2)C3=C(N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

C1CC1COC2=CC=CC(=C2)C3=C(N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C26H22FNO3/c27-20-12-10-17(11-13-20)15-28-23-7-2-1-6-22(23)24(25(28)26(29)30)19-4-3-5-21(14-19)31-16-18-8-9-18/h1-7,10-14,18H,8-9,15-16H2,(H,29,30)