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

Systemtic Name: 4-[[5-(2-ethylbutylcarbamoyl)-1-(phenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-benzyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(2-ethylbutylamino)-oxomethyl]-1-(phenylmethyl)-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-benzyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-benzyl-5-(2-ethylbutylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C31H34N2O4 MolecularWeight: 498.61266

Click to see the large picture

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)CC4=CC=CC=C4

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C31H34N2O4/c1-4-21(5-2)18-32-30(34)24-13-14-28-27(16-24)26(20-33(28)19-22-9-7-6-8-10-22)15-23-11-12-25(31(35)36)17-29(23)37-3/h6-14,16-17,20-21H,4-5,15,18-19H2,1-3H3,(H,32,34)(H,35,36)