4,6-bis(chloranyl)-3-[3-(cyclohexylamino)-3-oxidanylidene-prop-1-ynyl]-1H-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-[3-(cyclohexylamino)-3-oxidanylidene-prop-1-ynyl]-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-3-[3-(cyclohexylamino)-3-oxo-prop-1-ynyl]-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-[3-(cyclohexylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-3-[3-(cyclohexylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-3-[3-(cyclohexylamino)-3-keto-prop-1-ynyl]-1H-indole-2-carboxylic acid Formula: C18H16Cl2N2O3 MolecularWeight: 379.23724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H16Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h8-9,11,22H,1-5H2,(H,21,23)(H,24,25)