5-butyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: 5-butyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: 1-[2-[(3-benzyloxycarbonylphenyl)carbamoylamino]acetyl]-5-butyl-pyrrolidine-2-carboxylate CAS Name: 5-butyl-1-[1-oxo-2-[[oxo-(3-phenylmethoxycarbonylanilino)methyl]amino]ethyl]-2-pyrrolidinecarboxylate IUPAC Name: 5-butyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate Traditional Name: 5-butyl-1-[2-[(3-carbobenzoxyphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylate Formula: C26H30N3O6- MolecularWeight: 480.5329

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1CCC(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C26H31N3O6/c1-2-3-12-21-13-14-22(24(31)32)29(21)23(30)16-27-26(34)28-20-11-7-10-19(15-20)25(33)35-17-18-8-5-4-6-9-18/h4-11,15,21-22H,2-3,12-14,16-17H2,1H3,(H,31,32)(H2,27,28,34)/p-1