3-methylbutyl (2S)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoate

Systemtic Name: 3-methylbutyl (2S)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoate Openeye Name: isopentyl (2S)-2-[(2-hydroxy-5-nitro-phenyl)methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-3-phenylpropanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-hydroxy-5-nitro-benzyl)amino]-3-phenyl-propionic acid isoamyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(CC1=CC=CC=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)CCOC(=O)[C@H](CC1=CC=CC=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H26N2O5/c1-15(2)10-11-28-21(25)19(12-16-6-4-3-5-7-16)22-14-17-13-18(23(26)27)8-9-20(17)24/h3-9,13,15,19,22,24H,10-12,14H2,1-2H3/t19-/m0/s1