4,6-bis(chloranyl)-3-[2-[(phenylmethyl)carbamoylamino]ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-[2-[(phenylmethyl)carbamoylamino]ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(benzylcarbamoylamino)ethyl]-4,6-dichloro-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-[2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(benzylcarbamoylamino)ethyl]-4,6-dichloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(benzylcarbamoylamino)ethyl]-4,6-dichloro-1H-indole-2-carboxylic acid Formula: C19H17Cl2N3O3 MolecularWeight: 406.26258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NCCC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NCCC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

InChI

InChI=1S/C19H17Cl2N3O3/c20-12-8-14(21)16-13(17(18(25)26)24-15(16)9-12)6-7-22-19(27)23-10-11-4-2-1-3-5-11/h1-5,8-9,24H,6-7,10H2,(H,25,26)(H2,22,23,27)