[(1R,3S,4R,7S)-4,7-diacetamido-3-acetyloxy-2-phenylmethoxy-cycloheptyl] ethanoate

Systemtic Name: [(1R,3S,4R,7S)-4,7-diacetamido-3-acetyloxy-2-phenylmethoxy-cycloheptyl] ethanoate Openeye Name: [(1R,3S,4R,7S)-4,7-diacetamido-3-acetoxy-2-benzyloxy-cycloheptyl] acetate CAS Name: acetic acid [(1R,3S,4R,7S)-4,7-diacetamido-3-acetyloxy-2-phenylmethoxycycloheptyl] ester IUPAC Name: [(1R,3S,4R,7S)-4,7-diacetamido-3-acetyloxy-2-phenylmethoxycycloheptyl] acetate Traditional Name: acetic acid [(1R,3S,4R,7S)-4,7-diacetamido-3-acetoxy-2-benzoxy-cycloheptyl] ester Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC(C(C(C1OC(=O)C)OCC2=CC=CC=C2)OC(=O)C)NC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1CC[C@@H]([C@H](C([C@H]1OC(=O)C)OCC2=CC=CC=C2)OC(=O)C)NC(=O)C

InChI

InChI=1S/C22H30N2O7/c1-13(25)23-18-10-11-19(24-14(2)26)21(31-16(4)28)22(20(18)30-15(3)27)29-12-17-8-6-5-7-9-17/h5-9,18-22H,10-12H2,1-4H3,(H,23,25)(H,24,26)/t18-,19+,20+,21-,22?