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

Systemtic Name: 3-methoxy-4-[[5-[3-methyl-2-(propylcarbamoyl)butyl]-1-propyl-indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[5-[3-methyl-2-(propylcarbamoyl)butyl]-1-propyl-indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[5-[3-methyl-2-[oxo(propylamino)methyl]butyl]-1-propyl-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[5-[3-methyl-2-(propylcarbamoyl)butyl]-1-propylindol-3-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[5-[3-methyl-2-(propylcarbamoyl)butyl]-1-propyl-indol-3-yl]methyl]benzoic acid Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(CC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CCC)C(C)C

Isomeric SMILES

CCCNC(=O)C(CC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CCC)C(C)C

InChI

InChI=1S/C29H38N2O4/c1-6-12-30-28(32)24(19(3)4)14-20-8-11-26-25(15-20)23(18-31(26)13-7-2)16-21-9-10-22(29(33)34)17-27(21)35-5/h8-11,15,17-19,24H,6-7,12-14,16H2,1-5H3,(H,30,32)(H,33,34)