(4-nitrophenyl) 3-[[4-(4-ethylphenyl)phenyl]carbonyl-methyl-amino]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 3-[[4-(4-ethylphenyl)phenyl]carbonyl-methyl-amino]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl) 3-[[4-(4-ethylphenyl)benzoyl]-methyl-amino]pyrrolidine-1-carboxylate CAS Name: 3-[[[4-(4-ethylphenyl)phenyl]-oxomethyl]-methylamino]-1-pyrrolidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-[[4-(4-ethylphenyl)benzoyl]-methylamino]pyrrolidine-1-carboxylate Traditional Name: 3-[[4-(4-ethylphenyl)benzoyl]-methyl-amino]pyrrolidine-1-carboxylic acid (4-nitrophenyl) ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(C)C3CCN(C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(C)C3CCN(C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O5/c1-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)26(31)28(2)24-16-17-29(18-24)27(32)35-25-14-12-23(13-15-25)30(33)34/h4-15,24H,3,16-18H2,1-2H3