3-methylpyrrolidine; (4-nitrophenyl)methyl N-[(2-phenylphenyl)methyl]carbamate

Systemtic Name: 3-methylpyrrolidine; (4-nitrophenyl)methyl N-[(2-phenylphenyl)methyl]carbamate Openeye Name: 3-methylpyrrolidine; (4-nitrophenyl)methyl N-[(2-phenylphenyl)methyl]carbamate CAS Name: 3-methylpyrrolidine; N-[(2-phenylphenyl)methyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: 3-methylpyrrolidine; (4-nitrophenyl)methyl N-[(2-phenylphenyl)methyl]carbamate Traditional Name: 3-methylpyrrolidine; N-(2-phenylbenzyl)carbamic acid (4-nitrobenzyl) ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNC1.C1=CC=C(C=C1)C2=CC=CC=C2CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCNC1.C1=CC=C(C=C1)C2=CC=CC=C2CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O4.C5H11N/c24-21(27-15-16-10-12-19(13-11-16)23(25)26)22-14-18-8-4-5-9-20(18)17-6-2-1-3-7-17;1-5-2-3-6-4-5/h1-13H,14-15H2,(H,22,24);5-6H,2-4H2,1H3