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

Systemtic Name: 4-[[3-ethyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[3-ethyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[3-ethyl-6-[(2-ethylbutylamino)-oxomethyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-ethyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[3-ethyl-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C26H32N2O4/c1-5-17(6-2)14-27-25(29)19-10-11-22-18(7-3)15-28(23(22)12-19)16-21-9-8-20(26(30)31)13-24(21)32-4/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,27,29)(H,30,31)