O1-ethyl O2,O2-dimethyl 6-(1H-indol-3-yl)-4-oxidanylidene-5-(phenylmethoxycarbonylamino)hexane-1,2,2-tricarboxylate

Systemtic Name: O1-ethyl O2,O2-dimethyl 6-(1H-indol-3-yl)-4-oxidanylidene-5-(phenylmethoxycarbonylamino)hexane-1,2,2-tricarboxylate Openeye Name: O1-ethyl O2,O2-dimethyl 5-(benzyloxycarbonylamino)-6-(1H-indol-3-yl)-4-oxo-hexane-1,2,2-tricarboxylate CAS Name: 6-(1H-indol-3-yl)-4-oxo-5-(phenylmethoxycarbonylamino)hexane-1,2,2-tricarboxylic acid O1-ethyl ester O2,O2-dimethyl ester IUPAC Name: 1-O-ethyl 2-O,2-O-dimethyl 6-(1H-indol-3-yl)-4-oxo-5-(phenylmethoxycarbonylamino)hexane-1,2,2-tricarboxylate Traditional Name: 5-(benzyloxycarbonylamino)-6-(1H-indol-3-yl)-4-keto-hexane-1,2,2-tricarboxylic acid O1-ethyl ester O2,O2-dimethyl ester Formula: C29H32N2O9 MolecularWeight: 552.57238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)CC(CC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C29H32N2O9/c1-4-39-25(33)16-29(26(34)37-2,27(35)38-3)15-24(32)23(14-20-17-30-22-13-9-8-12-21(20)22)31-28(36)40-18-19-10-6-5-7-11-19/h5-13,17,23,30H,4,14-16,18H2,1-3H3,(H,31,36)