4-[1-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-methyl-6-pyridin-3-yl-indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[1-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-methyl-6-pyridin-3-yl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[1-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-methyl-6-(3-pyridyl)indol-5-yl]oxybutanoic acid CAS Name: 4-[[1-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-methyl-6-(3-pyridinyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[1-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-2-methyl-6-pyridin-3-ylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-carbethoxy-1-(4-chlorobenzyl)-2-methyl-6-(3-pyridyl)indol-5-yl]oxybutyric acid Formula: C28H27ClN2O5 MolecularWeight: 506.97738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCCCC(=O)O)C3=CN=CC=C3)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCCCC(=O)O)C3=CN=CC=C3)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C28H27ClN2O5/c1-3-35-28(34)27-18(2)31(17-19-8-10-21(29)11-9-19)24-14-22(20-6-4-12-30-16-20)25(15-23(24)27)36-13-5-7-26(32)33/h4,6,8-12,14-16H,3,5,7,13,17H2,1-2H3,(H,32,33)