(phenylmethyl) 2-[4-[4-(cyclopropylcarbonylamino)phenyl]phenyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-[4-(cyclopropylcarbonylamino)phenyl]phenyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[4-[4-(cyclopropanecarbonylamino)phenyl]phenyl]pyrrolidine-1-carboxylate CAS Name: 2-[4-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]phenyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[4-(cyclopropanecarbonylamino)phenyl]phenyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-[4-(cyclopropanecarbonylamino)phenyl]phenyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C28H28N2O3/c31-27(24-12-13-24)29-25-16-14-22(15-17-25)21-8-10-23(11-9-21)26-7-4-18-30(26)28(32)33-19-20-5-2-1-3-6-20/h1-3,5-6,8-11,14-17,24,26H,4,7,12-13,18-19H2,(H,29,31)