tert-butyl 3-[3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-6-(2-methylbut-3-yn-2-yloxy)indole-1-carboxylate

Systemtic Name: tert-butyl 3-[3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-6-(2-methylbut-3-yn-2-yloxy)indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]-6-(1,1-dimethylprop-2-ynoxy)indole-1-carboxylate CAS Name: 3-[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-6-(2-methylbut-3-yn-2-yloxy)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-6-(2-methylbut-3-yn-2-yloxy)indole-1-carboxylate Traditional Name: 3-[2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]-6-(1,1-dimethylprop-2-ynoxy)indole-1-carboxylic acid tert-butyl ester Formula: C30H34N2O7 MolecularWeight: 534.60016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)OC(C)(C)C#C)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)OC(C)(C)C#C)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H34N2O7/c1-8-30(5,6)38-22-14-15-23-21(18-32(25(23)17-22)28(35)39-29(2,3)4)16-24(26(33)36-7)31-27(34)37-19-20-12-10-9-11-13-20/h1,9-15,17-18,24H,16,19H2,2-7H3,(H,31,34)