3-methoxy-4-[[6-(2-methylpropylcarbamoyl)-3-propyl-indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-(2-methylpropylcarbamoyl)-3-propyl-indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(isobutylcarbamoyl)-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-[(2-methylpropylamino)-oxomethyl]-3-propyl-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-(2-methylpropylcarbamoyl)-3-propylindol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(isobutylcarbamoyl)-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C25H30N2O4/c1-5-6-19-14-27(15-20-8-7-18(25(29)30)12-23(20)31-4)22-11-17(9-10-21(19)22)24(28)26-13-16(2)3/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,26,28)(H,29,30)