tert-butyl (2S)-2-[[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(E)-(2-methyl-2H-chromen-3-yl)methyleneamino]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(2E)-2-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]hydrazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(E)-(2-methyl-2H-chromen-3-yl)methyleneamino]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CC=CC=C2O1)C=NNC(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=CC2=CC=CC=C2O1)/C=N/NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O4/c1-14-16(12-15-8-5-6-10-18(15)27-14)13-22-23-19(25)17-9-7-11-24(17)20(26)28-21(2,3)4/h5-6,8,10,12-14,17H,7,9,11H2,1-4H3,(H,23,25)/b22-13+/t14?,17-/m0/s1