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

Systemtic Name: 3-methoxy-4-[[5-(2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl)-1-propyl-indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[5-(2-methyl-3-oxo-3-pyrrolidin-1-yl-propyl)-1-propyl-indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[5-[2-methyl-3-oxo-3-(1-pyrrolidinyl)propyl]-1-propyl-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[5-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-1-propylindol-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-(3-keto-2-methyl-3-pyrrolidino-propyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)CC(C)C(=O)N3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)CC(C)C(=O)N3CCCC3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C28H34N2O4/c1-4-11-30-18-23(16-21-8-9-22(28(32)33)17-26(21)34-3)24-15-20(7-10-25(24)30)14-19(2)27(31)29-12-5-6-13-29/h7-10,15,17-19H,4-6,11-14,16H2,1-3H3,(H,32,33)