(4-nitrophenyl)methyl 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: (4-nitrophenyl)methyl 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(cyclopropylamino)-3-(1H-indol-3-yl)propionic acid (4-nitrobenzyl) ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c25-21(28-13-14-5-9-17(10-6-14)24(26)27)20(23-16-7-8-16)11-15-12-22-19-4-2-1-3-18(15)19/h1-6,9-10,12,16,20,22-23H,7-8,11,13H2