[(2-methylpropan-2-yl)oxycarbonylamino] (2S)-5-cyano-8-(2-phenylmethoxycarbonylphenoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonylamino] (2S)-5-cyano-8-(2-phenylmethoxycarbonylphenoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate Openeye Name: (tert-butoxycarbonylamino) (2S)-8-(2-benzyloxycarbonylphenoxy)-5-cyano-tetralin-2-carboxylate CAS Name: (2S)-5-cyano-8-(2-phenylmethoxycarbonylphenoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester IUPAC Name: [(2-methylpropan-2-yl)oxycarbonylamino] (2S)-5-cyano-8-(2-phenylmethoxycarbonylphenoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate Traditional Name: (2S)-8-(2-carbobenzoxyphenoxy)-5-cyano-tetralin-2-carboxylic acid (tert-butoxycarbonylamino) ester Formula: C31H30N2O7 MolecularWeight: 542.5791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NOC(=O)C1CCC2=C(C=CC(=C2C1)OC3=CC=CC=C3C(=O)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NOC(=O)[C@H]1CCC2=C(C=CC(=C2C1)OC3=CC=CC=C3C(=O)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C31H30N2O7/c1-31(2,3)39-30(36)33-40-28(34)21-13-15-23-22(18-32)14-16-27(25(23)17-21)38-26-12-8-7-11-24(26)29(35)37-19-20-9-5-4-6-10-20/h4-12,14,16,21H,13,15,17,19H2,1-3H3,(H,33,36)/t21-/m0/s1