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

Systemtic Name: 4-[[1-ethyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-ethyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-ethyl-5-[(2-ethylbutylamino)-oxomethyl]-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-ethyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-ethyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CC

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CC

InChI

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