4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methylamino]benzoic acid

Systemtic Name: 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methylamino]benzoic acid Openeye Name: 4-[(1-tert-butoxycarbonylindol-3-yl)methylamino]benzoic acid CAS Name: 4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]methylamino]benzoic acid IUPAC Name: 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methylamino]benzoic acid Traditional Name: 4-[(1-tert-butoxycarbonylindol-3-yl)methylamino]benzoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)27-20(26)23-13-15(17-6-4-5-7-18(17)23)12-22-16-10-8-14(9-11-16)19(24)25/h4-11,13,22H,12H2,1-3H3,(H,24,25)