3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propyl-indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propyl-indol-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-(isobutylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[5-[(2-methylpropylamino)-oxomethyl]-1-propyl-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-(isobutylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)C(=O)NCC(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)C(=O)NCC(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C25H30N2O4/c1-5-10-27-15-20(11-17-6-7-19(25(29)30)13-23(17)31-4)21-12-18(8-9-22(21)27)24(28)26-14-16(2)3/h6-9,12-13,15-16H,5,10-11,14H2,1-4H3,(H,26,28)(H,29,30)