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

Systemtic Name: N-[(2R,4S)-1-heptanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide Openeye Name: N-[(2R,4S)-1-heptanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide CAS Name: N-[(2R,4S)-2-methyl-1-(1-oxoheptyl)-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide IUPAC Name: N-[(2R,4S)-1-heptanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide Traditional Name: N-[(2R,4S)-1-enanthyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O4/c1-3-4-5-9-19-29(34)31-22(2)20-28(26-17-10-11-18-27(26)31)32(30(35)23-13-7-6-8-14-23)24-15-12-16-25(21-24)33(36)37/h6-8,10-18,21-22,28H,3-5,9,19-20H2,1-2H3/t22-,28+/m1/s1