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

Systemtic Name: methyl 5-(1-azanyl-3-ethyl-pentyl)-4-isocyano-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2/c1-5-15(6-2)12-17(22)20-18(23-3)13-19(21(25)26-4)24(20)14-16-10-8-7-9-11-16/h7-11,15,17-20H,5-6,12-14,22H2,1-2,4H3