2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-(4-methanoylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-(4-methanoylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-formylpiperazin-1-yl)acetic acid CAS Name: 2-[6-bromo-1-(carboxymethyl)-3-indolyl]-2-(4-formyl-1-piperazinyl)acetic acid IUPAC Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-formylpiperazin-1-yl)acetic acid Traditional Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-formylpiperazino)acetic acid Formula: C17H18BrN3O5 MolecularWeight: 424.24592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(C2=CN(C3=C2C=CC(=C3)Br)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C=O)C(C2=CN(C3=C2C=CC(=C3)Br)CC(=O)O)C(=O)O

InChI

InChI=1S/C17H18BrN3O5/c18-11-1-2-12-13(8-21(9-15(23)24)14(12)7-11)16(17(25)26)20-5-3-19(10-22)4-6-20/h1-2,7-8,10,16H,3-6,9H2,(H,23,24)(H,25,26)