[(2Z)-2-[6-acetyloxy-7-(5-benzamido-4,8-dimethyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethyl] ethanoate

Systemtic Name: [(2Z)-2-[6-acetyloxy-7-(5-benzamido-4,8-dimethyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethyl] ethanoate Openeye Name: [(2Z)-2-[6-acetoxy-7-(5-benzamido-4,8-dimethyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethyl] acetate CAS Name: acetic acid [(2Z)-2-[6-acetyloxy-7-(5-benzamido-4,8-dimethylnon-7-enyl)-7-methyl-3-oxepanylidene]ethyl] ester IUPAC Name: [(2Z)-2-[6-acetyloxy-7-(5-benzamido-4,8-dimethylnon-7-enyl)-7-methyloxepan-3-ylidene]ethyl] acetate Traditional Name: acetic acid [(2Z)-2-[6-acetoxy-7-(5-benzamido-4,8-dimethyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethyl] ester Formula: C31H45NO6 MolecularWeight: 527.6921

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1(C(CCC(=CCOC(=O)C)CO1)OC(=O)C)C)C(CC=C(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CCCC1(C(CC/C(=C/COC(=O)C)/CO1)OC(=O)C)C)C(CC=C(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C31H45NO6/c1-22(2)14-16-28(32-30(35)27-12-8-7-9-13-27)23(3)11-10-19-31(6)29(38-25(5)34)17-15-26(21-37-31)18-20-36-24(4)33/h7-9,12-14,18,23,28-29H,10-11,15-17,19-21H2,1-6H3,(H,32,35)/b26-18-