[(2-methylpropan-2-yl)oxycarbonylamino] (2S)-8-(4-nitro-2-phenylmethoxycarbonyl-phenoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonylamino] (2S)-8-(4-nitro-2-phenylmethoxycarbonyl-phenoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate Openeye Name: (tert-butoxycarbonylamino) (2S)-8-(2-benzyloxycarbonyl-4-nitro-phenoxy)tetralin-2-carboxylate CAS Name: (2S)-8-(4-nitro-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)-8-(4-nitro-2-phenylmethoxycarbonylphenoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate Traditional Name: (2S)-8-(2-carbobenzoxy-4-nitro-phenoxy)tetralin-2-carboxylic acid (tert-butoxycarbonylamino) ester Formula: C30H30N2O9 MolecularWeight: 562.5672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NOC(=O)C1CCC2=C(C1)C(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NOC(=O)[C@H]1CCC2=C(C1)C(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H30N2O9/c1-30(2,3)40-29(35)31-41-27(33)21-13-12-20-10-7-11-25(23(20)16-21)39-26-15-14-22(32(36)37)17-24(26)28(34)38-18-19-8-5-4-6-9-19/h4-11,14-15,17,21H,12-13,16,18H2,1-3H3,(H,31,35)/t21-/m0/s1