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

Systemtic Name: 3-methoxy-4-[[1-propyl-5-[2-(propylcarbamoyl)butyl]indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[1-propyl-5-[2-(propylcarbamoyl)butyl]indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[5-[2-[oxo(propylamino)methyl]butyl]-1-propyl-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[1-propyl-5-[2-(propylcarbamoyl)butyl]indol-3-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[1-propyl-5-[2-(propylcarbamoyl)butyl]indol-3-yl]methyl]benzoic acid Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O4/c1-5-12-29-27(31)20(7-3)14-19-8-11-25-24(15-19)23(18-30(25)13-6-2)16-21-9-10-22(28(32)33)17-26(21)34-4/h8-11,15,17-18,20H,5-7,12-14,16H2,1-4H3,(H,29,31)(H,32,33)