4-[[2,3-bis(bromanyl)-6-(butoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[2,3-bis(bromanyl)-6-(butoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[2,3-dibromo-6-(butoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[2,3-dibromo-6-[[butoxy(oxo)methyl]amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[2,3-dibromo-6-(butoxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[2,3-dibromo-6-(butoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C22H22Br2N2O5 MolecularWeight: 554.22848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=CC2=C(C=C1)C(=C(N2CC3=C(C=C(C=C3)C(=O)O)OC)Br)Br

Isomeric SMILES

CCCCOC(=O)NC1=CC2=C(C=C1)C(=C(N2CC3=C(C=C(C=C3)C(=O)O)OC)Br)Br

InChI

InChI=1S/C22H22Br2N2O5/c1-3-4-9-31-22(29)25-15-7-8-16-17(11-15)26(20(24)19(16)23)12-14-6-5-13(21(27)28)10-18(14)30-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,25,29)(H,27,28)