3-methoxy-4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(tert-butoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(tert-butoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H24N2O5/c1-22(2,3)29-21(27)23-17-8-7-14-9-10-24(18(14)12-17)13-16-6-5-15(20(25)26)11-19(16)28-4/h5-12H,13H2,1-4H3,(H,23,27)(H,25,26)