tert-butyl 5-[[(4-methoxy-2-nitro-phenyl)-pentanoyl-amino]methyl]-2-phenyl-benzoate

Systemtic Name: tert-butyl 5-[[(4-methoxy-2-nitro-phenyl)-pentanoyl-amino]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[(4-methoxy-2-nitro-N-pentanoyl-anilino)methyl]-2-phenyl-benzoate CAS Name: 5-[[4-methoxy-2-nitro-N-(1-oxopentyl)anilino]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-methoxy-2-nitro-N-pentanoylanilino)methyl]-2-phenylbenzoate Traditional Name: 5-[(4-methoxy-2-nitro-N-valeryl-anilino)methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC(C)(C)C)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC(C)(C)C)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C30H34N2O6/c1-6-7-13-28(33)31(26-17-15-23(37-5)19-27(26)32(35)36)20-21-14-16-24(22-11-9-8-10-12-22)25(18-21)29(34)38-30(2,3)4/h8-12,14-19H,6-7,13,20H2,1-5H3