4,6-bis(chloranyl)-3-[3-(morpholin-4-ylamino)-3-oxidanylidene-prop-1-en-2-yl]-2-phenyl-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-[3-(morpholin-4-ylamino)-3-oxidanylidene-prop-1-en-2-yl]-2-phenyl-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-3-[1-(morpholinocarbamoyl)vinyl]-2-phenyl-indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-[3-(4-morpholinylamino)-3-oxoprop-1-en-2-yl]-2-phenyl-2-indolecarboxylic acid IUPAC Name: 4,6-dichloro-3-[3-(morpholin-4-ylamino)-3-oxoprop-1-en-2-yl]-2-phenylindole-2-carboxylic acid Traditional Name: 4,6-dichloro-3-[1-(morpholinocarbamoyl)vinyl]-2-phenyl-indole-2-carboxylic acid Formula: C22H19Cl2N3O4 MolecularWeight: 460.30996

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C2C(=CC(=CC2=NC1(C3=CC=CC=C3)C(=O)O)Cl)Cl)C(=O)NN4CCOCC4

Isomeric SMILES

C=C(C1=C2C(=CC(=CC2=NC1(C3=CC=CC=C3)C(=O)O)Cl)Cl)C(=O)NN4CCOCC4

InChI

InChI=1S/C22H19Cl2N3O4/c1-13(20(28)26-27-7-9-31-10-8-27)19-18-16(24)11-15(23)12-17(18)25-22(19,21(29)30)14-5-3-2-4-6-14/h2-6,11-12H,1,7-10H2,(H,26,28)(H,29,30)