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

Systemtic Name: methyl 5-(3-ethylpentanoyl)-4-isocyano-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-benzyl-5-(3-ethylpentanoyl)-4-isocyano-pyrrolidine-2-carboxylate CAS Name: 5-(3-ethyl-1-oxopentyl)-4-isocyano-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-(3-ethylpentanoyl)-4-isocyanopyrrolidine-2-carboxylate Traditional Name: 1-benzyl-5-(3-ethylpentanoyl)-4-isocyano-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-5-15(6-2)12-19(24)20-17(22-3)13-18(21(25)26-4)23(20)14-16-10-8-7-9-11-16/h7-11,15,17-18,20H,5-6,12-14H2,1-2,4H3