tert-butyl 3-(4-nitrophenyl)-1-(phenylmethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 3-(4-nitrophenyl)-1-(phenylmethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 1-benzyl-3-(4-nitrophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 3-(4-nitrophenyl)-1-(phenylmethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-3-(4-nitrophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 1-benzyl-3-(4-nitrophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=CN2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=CN2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O4/c1-25(2,3)32-24(29)26-14-13-23-22(17-26)21(19-9-11-20(12-10-19)28(30)31)16-27(23)15-18-7-5-4-6-8-18/h4-12,16H,13-15,17H2,1-3H3