3-(4-azanylbutyl)-7-chloranyl-2-(4-phenylphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(4-phenylphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(4-phenylphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(4-phenylphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(4-phenylphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(4-phenylphenyl)-1H-indole-4-carboxylic acid Formula: C25H23ClN2O2 MolecularWeight: 418.91532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C25H23ClN2O2/c26-21-14-13-20(25(29)30)22-19(8-4-5-15-27)23(28-24(21)22)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-3,6-7,9-14,28H,4-5,8,15,27H2,(H,29,30)