5-bromanyl-3-[3-[(2-carboxylatophenyl)carbonylamino]propyl]-1H-indole-2-carboxylate

Systemtic Name: 5-bromanyl-3-[3-[(2-carboxylatophenyl)carbonylamino]propyl]-1H-indole-2-carboxylate Openeye Name: 5-bromo-3-[3-[(2-carboxylatobenzoyl)amino]propyl]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[3-[[(2-carboxylatophenyl)-oxomethyl]amino]propyl]-1H-indole-2-carboxylate IUPAC Name: 5-bromo-3-[3-[(2-carboxylatobenzoyl)amino]propyl]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-[(2-carboxylatobenzoyl)amino]propyl]-1H-indole-2-carboxylate Formula: C20H15BrN2O5-2 MolecularWeight: 443.2475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCC2=C(NC3=C2C=C(C=C3)Br)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCC2=C(NC3=C2C=C(C=C3)Br)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H17BrN2O5/c21-11-7-8-16-15(10-11)12(17(23-16)20(27)28)6-3-9-22-18(24)13-4-1-2-5-14(13)19(25)26/h1-2,4-5,7-8,10,23H,3,6,9H2,(H,22,24)(H,25,26)(H,27,28)/p-2