2-[(E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-3-oxidanyl-prop-2-enoyl]benzoic acid

Systemtic Name: 2-[(E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-3-oxidanyl-prop-2-enoyl]benzoic acid Openeye Name: 2-[(E)-3-(1-tert-butoxycarbonylindol-3-yl)-3-hydroxy-prop-2-enoyl]benzoic acid CAS Name: 2-[(E)-3-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 2-[(E)-3-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]prop-2-enoyl]benzoic acid Traditional Name: 2-[(E)-3-(1-tert-butoxycarbonylindol-3-yl)-3-hydroxy-acryloyl]benzoic acid Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(=CC(=O)C3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)/C(=C\C(=O)C3=CC=CC=C3C(=O)O)/O

InChI

InChI=1S/C23H21NO6/c1-23(2,3)30-22(29)24-13-17(14-8-6-7-11-18(14)24)20(26)12-19(25)15-9-4-5-10-16(15)21(27)28/h4-13,26H,1-3H3,(H,27,28)/b20-12+