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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1OC)C(=O)O)CC2=CN(C3=CC=CC=C32)CC(CC)C(=O)NCCC

Isomeric SMILES

CCCC1=C(C=C(C=C1OC)C(=O)O)CC2=CN(C3=CC=CC=C32)CC(CC)C(=O)NCCC

InChI

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