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

Systemtic Name: 4-[3-ethoxycarbonyl-2-methyl-1-(phenylmethyl)-6-pyridin-3-yl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[1-benzyl-3-ethoxycarbonyl-2-methyl-6-(3-pyridyl)indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-ethoxycarbonyl-2-methyl-1-(phenylmethyl)-6-(3-pyridinyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-(1-benzyl-3-ethoxycarbonyl-2-methyl-6-pyridin-3-ylindol-5-yl)oxybutanoic acid Traditional Name: 4-[1-benzyl-3-carbethoxy-2-methyl-6-(3-pyridyl)indol-5-yl]oxybutyric acid Formula: C28H28N2O5 MolecularWeight: 472.53232

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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=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O5/c1-3-34-28(33)27-19(2)30(18-20-9-5-4-6-10-20)24-15-22(21-11-7-13-29-17-21)25(16-23(24)27)35-14-8-12-26(31)32/h4-7,9-11,13,15-17H,3,8,12,14,18H2,1-2H3,(H,31,32)