[4-[(2R)-2-acetamido-3-methoxy-3-oxidanylidene-propyl]azulen-1-yl] 2,2-dimethylpropanoate

Systemtic Name: [4-[(2R)-2-acetamido-3-methoxy-3-oxidanylidene-propyl]azulen-1-yl] 2,2-dimethylpropanoate Openeye Name: [4-[(2R)-2-acetamido-3-methoxy-3-oxo-propyl]azulen-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(2R)-2-acetamido-3-methoxy-3-oxopropyl]-1-azulenyl] ester IUPAC Name: [4-[(2R)-2-acetamido-3-methoxy-3-oxopropyl]azulen-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(2R)-2-acetamido-3-keto-3-methoxy-propyl]azulen-1-yl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C2C1=CC=C2OC(=O)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C2C1=CC=C2OC(=O)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C21H25NO5/c1-13(23)22-17(19(24)26-5)12-14-8-6-7-9-16-15(14)10-11-18(16)27-20(25)21(2,3)4/h6-11,17H,12H2,1-5H3,(H,22,23)/t17-/m1/s1