1-(3-chloranylpropyl)-3-(diphenylmethyl)indole-2-carboxylic acid

Systemtic Name: 1-(3-chloranylpropyl)-3-(diphenylmethyl)indole-2-carboxylic acid Openeye Name: 3-benzhydryl-1-(3-chloropropyl)indole-2-carboxylic acid CAS Name: 1-(3-chloropropyl)-3-(diphenylmethyl)-2-indolecarboxylic acid IUPAC Name: 3-benzhydryl-1-(3-chloropropyl)indole-2-carboxylic acid Traditional Name: 3-benzhydryl-1-(3-chloropropyl)indole-2-carboxylic acid Formula: C25H22ClNO2 MolecularWeight: 403.90068

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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)CCCCl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO2/c26-16-9-17-27-21-15-8-7-14-20(21)23(24(27)25(28)29)22(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-8,10-15,22H,9,16-17H2,(H,28,29)