tert-butyl 5-(3-ethylpentanoyl)-4-isocyano-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 5-(3-ethylpentanoyl)-4-isocyano-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-benzyl-5-(3-ethylpentanoyl)-4-isocyano-pyrrolidine-2-carboxylate CAS Name: 5-(3-ethyl-1-oxopentyl)-4-isocyano-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-5-(3-ethylpentanoyl)-4-isocyanopyrrolidine-2-carboxylate Traditional Name: 1-benzyl-5-(3-ethylpentanoyl)-4-isocyano-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC(=O)C1C(CC(N1CC2=CC=CC=C2)C(=O)OC(C)(C)C)[N+]#[C-]

Isomeric SMILES

CCC(CC)CC(=O)C1C(CC(N1CC2=CC=CC=C2)C(=O)OC(C)(C)C)[N+]#[C-]

InChI

InChI=1S/C24H34N2O3/c1-7-17(8-2)14-21(27)22-19(25-6)15-20(23(28)29-24(3,4)5)26(22)16-18-12-10-9-11-13-18/h9-13,17,19-20,22H,7-8,14-16H2,1-5H3