2,4-dimethylpentan-3-yl 4-[3-(cyclohexylmethyl)-2-oxidanylidene-4-phenylmethoxycarbonyl-azetidin-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: 2,4-dimethylpentan-3-yl 4-[3-(cyclohexylmethyl)-2-oxidanylidene-4-phenylmethoxycarbonyl-azetidin-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: (1-isopropyl-2-methyl-propyl) 4-[2-benzyloxycarbonyl-3-(cyclohexylmethyl)-4-oxo-azetidine-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(cyclohexylmethyl)-2-oxo-4-phenylmethoxycarbonyl-1-azetidinyl]-oxomethyl]-1-piperazinecarboxylic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl 4-[3-(cyclohexylmethyl)-2-oxo-4-phenylmethoxycarbonylazetidine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-carbobenzoxy-3-(cyclohexylmethyl)-4-keto-azetidine-1-carbonyl]piperazine-1-carboxylic acid (1-isopropyl-2-methyl-propyl) ester Formula: C31H45N3O6 MolecularWeight: 555.7055

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)OC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CC3CCCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(C)C)OC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CC3CCCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H45N3O6/c1-21(2)27(22(3)4)40-31(38)33-17-15-32(16-18-33)30(37)34-26(29(36)39-20-24-13-9-6-10-14-24)25(28(34)35)19-23-11-7-5-8-12-23/h6,9-10,13-14,21-23,25-27H,5,7-8,11-12,15-20H2,1-4H3