1-(4-chloranylbutyl)-3-(diphenylmethyl)indole-2-carboxylic acid

Systemtic Name: 1-(4-chloranylbutyl)-3-(diphenylmethyl)indole-2-carboxylic acid Openeye Name: 3-benzhydryl-1-(4-chlorobutyl)indole-2-carboxylic acid CAS Name: 1-(4-chlorobutyl)-3-(diphenylmethyl)-2-indolecarboxylic acid IUPAC Name: 3-benzhydryl-1-(4-chlorobutyl)indole-2-carboxylic acid Traditional Name: 3-benzhydryl-1-(4-chlorobutyl)indole-2-carboxylic acid Formula: C26H24ClNO2 MolecularWeight: 417.92726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(N(C4=CC=CC=C43)CCCCCl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(N(C4=CC=CC=C43)CCCCCl)C(=O)O

InChI

InChI=1S/C26H24ClNO2/c27-17-9-10-18-28-22-16-8-7-15-21(22)24(25(28)26(29)30)23(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-8,11-16,23H,9-10,17-18H2,(H,29,30)