3-[2-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[(5-bromo-2-methoxy-phenyl)methylamino]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[(5-bromo-2-methoxy-benzyl)amino]-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C19H17BrN2O4/c1-26-16-7-6-12(20)8-11(16)10-21-17(23)9-14-13-4-2-3-5-15(13)22-18(14)19(24)25/h2-8,22H,9-10H2,1H3,(H,21,23)(H,24,25)