tert-butyl 5-(1-azanyl-3-ethyl-pentyl)-4-isocyano-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 5-(1-azanyl-3-ethyl-pentyl)-4-isocyano-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 5-(1-amino-3-ethyl-pentyl)-1-benzyl-4-isocyano-pyrrolidine-2-carboxylate CAS Name: 5-(1-amino-3-ethylpentyl)-4-isocyano-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-amino-3-ethylpentyl)-1-benzyl-4-isocyanopyrrolidine-2-carboxylate Traditional Name: 5-(1-amino-3-ethyl-pentyl)-1-benzyl-4-isocyano-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C24H37N3O2 MolecularWeight: 399.56948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O2/c1-7-17(8-2)14-19(25)22-20(26-6)15-21(23(28)29-24(3,4)5)27(22)16-18-12-10-9-11-13-18/h9-13,17,19-22H,7-8,14-16,25H2,1-5H3