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

Systemtic Name: 3-[2-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[(5-bromo-2-methoxy-phenyl)methylamino]-2-oxo-ethyl]-5-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[(5-bromo-2-methoxy-benzyl)amino]-2-keto-ethyl]-5-chloro-1H-indole-2-carboxylic acid Formula: C19H16BrClN2O4 MolecularWeight: 451.69834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H16BrClN2O4/c1-27-16-5-2-11(20)6-10(16)9-22-17(24)8-14-13-7-12(21)3-4-15(13)23-18(14)19(25)26/h2-7,23H,8-9H2,1H3,(H,22,24)(H,25,26)