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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(3-phenoxyphenyl)-1H-indole-4-carboxylic acid Formula: C25H23ClN2O3 MolecularWeight: 434.91472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C25H23ClN2O3/c26-21-13-12-20(25(29)30)22-19(11-4-5-14-27)23(28-24(21)22)16-7-6-10-18(15-16)31-17-8-2-1-3-9-17/h1-3,6-10,12-13,15,28H,4-5,11,14,27H2,(H,29,30)