5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid CAS Name: 5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-(cyclopropylmethylamino)-1-(4-fluorobenzyl)-3-p-phenetyl-indole-2-carboxylic acid Formula: C28H27FN2O3 MolecularWeight: 458.523983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)NCC4CC4)CC5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)NCC4CC4)CC5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C28H27FN2O3/c1-2-34-23-12-7-20(8-13-23)26-24-15-22(30-16-18-3-4-18)11-14-25(24)31(27(26)28(32)33)17-19-5-9-21(29)10-6-19/h5-15,18,30H,2-4,16-17H2,1H3,(H,32,33)