3-(hydroxymethyl)-6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-indole-4-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-indole-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-3-(hydroxymethyl)-6-methoxycarbonyl-2-phenyl-indole-4-carboxylic acid CAS Name: 3-(hydroxymethyl)-6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-phenyl-4-indolecarboxylic acid IUPAC Name: 3-(hydroxymethyl)-6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylindole-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-6-carbomethoxy-3-methylol-2-phenyl-indole-4-carboxylic acid Formula: C23H23NO7 MolecularWeight: 425.43122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC(=CC(=C2C(=C1C3=CC=CC=C3)CO)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC(=CC(=C2C(=C1C3=CC=CC=C3)CO)C(=O)O)C(=O)OC

InChI

InChI=1S/C23H23NO7/c1-23(2,3)31-22(29)24-17-11-14(21(28)30-4)10-15(20(26)27)18(17)16(12-25)19(24)13-8-6-5-7-9-13/h5-11,25H,12H2,1-4H3,(H,26,27)