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

Systemtic Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-phenethyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-phenethyl-indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(2-ethylbutylamino)-oxomethyl]-3-phenethyl-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-phenethylindol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-phenethyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C32H36N2O4 MolecularWeight: 512.63924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)O)OC)CCC4=CC=CC=C4

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)O)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C32H36N2O4/c1-4-22(5-2)19-33-31(35)24-15-16-28-26(12-11-23-9-7-6-8-10-23)20-34(29(28)17-24)21-27-14-13-25(32(36)37)18-30(27)38-3/h6-10,13-18,20,22H,4-5,11-12,19,21H2,1-3H3,(H,33,35)(H,36,37)