methyl 2-[[6-(4-cyano-1H-quinolin-4-yl)-6-phenyl-hexanoyl]amino]-3-nitro-benzoate

Systemtic Name: methyl 2-[[6-(4-cyano-1H-quinolin-4-yl)-6-phenyl-hexanoyl]amino]-3-nitro-benzoate Openeye Name: methyl 2-[[6-(4-cyano-1H-quinolin-4-yl)-6-phenyl-hexanoyl]amino]-3-nitro-benzoate CAS Name: 2-[[6-(4-cyano-1H-quinolin-4-yl)-1-oxo-6-phenylhexyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-cyano-1H-quinolin-4-yl)-6-phenylhexanoyl]amino]-3-nitrobenzoate Traditional Name: 2-[[6-(4-cyano-1H-quinolin-4-yl)-6-phenyl-hexanoyl]amino]-3-nitro-benzoic acid methyl ester Formula: C30H28N4O5 MolecularWeight: 524.56712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CCCCC(C2=CC=CC=C2)C3(C=CNC4=CC=CC=C43)C#N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CCCCC(C2=CC=CC=C2)C3(C=CNC4=CC=CC=C43)C#N

InChI

InChI=1S/C30H28N4O5/c1-39-29(36)22-12-9-16-26(34(37)38)28(22)33-27(35)17-8-6-13-23(21-10-3-2-4-11-21)30(20-31)18-19-32-25-15-7-5-14-24(25)30/h2-5,7,9-12,14-16,18-19,23,32H,6,8,13,17H2,1H3,(H,33,35)