tert-butyl 2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]indole-6-carboxylate

Systemtic Name: tert-butyl 2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]indole-6-carboxylate Openeye Name: tert-butyl 1-(N-tert-butoxycarbonylanilino)-2-cyclopropyl-indole-6-carboxylate CAS Name: 2-cyclopropyl-1-(N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)-6-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyclopropyl-1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]indole-6-carboxylate Traditional Name: 1-(N-tert-butoxycarbonylanilino)-2-cyclopropyl-indole-6-carboxylic acid tert-butyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)C=C(N2N(C3=CC=CC=C3)C(=O)OC(C)(C)C)C4CC4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)C=C(N2N(C3=CC=CC=C3)C(=O)OC(C)(C)C)C4CC4

InChI

InChI=1S/C27H32N2O4/c1-26(2,3)32-24(30)20-15-14-19-16-22(18-12-13-18)29(23(19)17-20)28(21-10-8-7-9-11-21)25(31)33-27(4,5)6/h7-11,14-18H,12-13H2,1-6H3