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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C=C1)C(=O)O)OC)C2=CNC3=C2C=C(C=C3)CC(C)C(=O)N4CCCC4

Isomeric SMILES

CCCC(C1=C(C=C(C=C1)C(=O)O)OC)C2=CNC3=C2C=C(C=C3)CC(C)C(=O)N4CCCC4

InChI

InChI=1S/C28H34N2O4/c1-4-7-21(22-10-9-20(28(32)33)16-26(22)34-3)24-17-29-25-11-8-19(15-23(24)25)14-18(2)27(31)30-12-5-6-13-30/h8-11,15-18,21,29H,4-7,12-14H2,1-3H3,(H,32,33)