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

Systemtic Name: 5-(cyclopropylmethoxymethyl)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-(cyclopropylmethoxymethyl)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid CAS Name: 5-(cyclopropylmethoxymethyl)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-(cyclopropylmethoxymethyl)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-(cyclopropylmethoxymethyl)-1-(4-fluorobenzyl)-3-p-phenetyl-indole-2-carboxylic acid Formula: C29H28FNO4 MolecularWeight: 473.535323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)COCC4CC4)CC5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)COCC4CC4)CC5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C29H28FNO4/c1-2-35-24-12-8-22(9-13-24)27-25-15-21(18-34-17-20-3-4-20)7-14-26(25)31(28(27)29(32)33)16-19-5-10-23(30)11-6-19/h5-15,20H,2-4,16-18H2,1H3,(H,32,33)