3-(diphenylmethyl)-1-(1-pyrrolidin-3-ylbutyl)indole-2-carboxylic acid

Systemtic Name: 3-(diphenylmethyl)-1-(1-pyrrolidin-3-ylbutyl)indole-2-carboxylic acid Openeye Name: 3-benzhydryl-1-(1-pyrrolidin-3-ylbutyl)indole-2-carboxylic acid CAS Name: 3-(diphenylmethyl)-1-[1-(3-pyrrolidinyl)butyl]-2-indolecarboxylic acid IUPAC Name: 3-benzhydryl-1-(1-pyrrolidin-3-ylbutyl)indole-2-carboxylic acid Traditional Name: 3-benzhydryl-1-(1-pyrrolidin-3-ylbutyl)indole-2-carboxylic acid Formula: C30H32N2O2 MolecularWeight: 452.58728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCNC1)N2C3=CC=CC=C3C(=C2C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC(C1CCNC1)N2C3=CC=CC=C3C(=C2C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H32N2O2/c1-2-11-25(23-18-19-31-20-23)32-26-17-10-9-16-24(26)28(29(32)30(33)34)27(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-10,12-17,23,25,27,31H,2,11,18-20H2,1H3,(H,33,34)