N-[(2S,4S)-1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide

Systemtic Name: N-[(2S,4S)-1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide Openeye Name: N-[(2S,4S)-1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide CAS Name: N-[(2S,4S)-2-methyl-1-(1-oxohexyl)-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide IUPAC Name: N-[(2S,4S)-1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide Traditional Name: N-[(2S,4S)-1-caproyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCC(=O)N1[C@H](C[C@@H](C2=CC=CC=C21)N(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C29H31N3O4/c1-3-4-6-15-28(33)30-21(2)20-27(25-13-9-10-14-26(25)30)31(29(34)22-11-7-5-8-12-22)23-16-18-24(19-17-23)32(35)36/h5,7-14,16-19,21,27H,3-4,6,15,20H2,1-2H3/t21-,27-/m0/s1