1-[phenyl-[4-(2-pyrrolidin-2-ylethoxy)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 1-[phenyl-[4-(2-pyrrolidin-2-ylethoxy)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 1-[phenyl-[4-(2-pyrrolidin-2-ylethoxy)phenyl]methyl]indole-2-carboxylic acid CAS Name: 1-[phenyl-[4-[2-(2-pyrrolidinyl)ethoxy]phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 1-[phenyl-[4-(2-pyrrolidin-2-ylethoxy)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 1-[phenyl-[4-(2-pyrrolidin-2-ylethoxy)phenyl]methyl]indole-2-carboxylic acid Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CCOC2=CC=C(C=C2)C(C3=CC=CC=C3)N4C5=CC=CC=C5C=C4C(=O)O

Isomeric SMILES

C1CC(NC1)CCOC2=CC=C(C=C2)C(C3=CC=CC=C3)N4C5=CC=CC=C5C=C4C(=O)O

InChI

InChI=1S/C28H28N2O3/c31-28(32)26-19-22-9-4-5-11-25(22)30(26)27(20-7-2-1-3-8-20)21-12-14-24(15-13-21)33-18-16-23-10-6-17-29-23/h1-5,7-9,11-15,19,23,27,29H,6,10,16-18H2,(H,31,32)