methyl 2-[[1-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-3-methyl-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[1-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-3-methyl-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-1-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-3-methyl-butyl]amino]-3-phenyl-propanoate CAS Name: 2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methyl-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methyl-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-1-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-3-methyl-butyl]amino]-3-phenyl-propionic acid methyl ester Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=C1C(=O)CC(CC1=O)(C)C)NC(CC2=CC=CC=C2)C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=C1C(=O)CC(CC1=O)(C)C)NC(CC2=CC=CC=C2)C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H38N2O6/c1-20(2)27(33-30(37)39-19-22-14-10-7-11-15-22)28(26-24(34)17-31(3,4)18-25(26)35)32-23(29(36)38-5)16-21-12-8-6-9-13-21/h6-15,20,23,27,32H,16-19H2,1-5H3,(H,33,37)