[2-(azepan-1-yl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] 2-methylidenebutanoate

Systemtic Name: [2-(azepan-1-yl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] 2-methylidenebutanoate Openeye Name: [2-(azepan-1-yl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] 2-methylenebutanoate CAS Name: 2-methylenebutanoic acid [2-(1-azepanyl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] ester IUPAC Name: [2-(azepan-1-yl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] 2-methylidenebutanoate Traditional Name: 2-ethylacrylic acid [2-(azepan-1-yl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] ester Formula: C29H39NO4 MolecularWeight: 465.62426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCCCCC3)OC(=O)C(=C)CC

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCCCCC3)OC(=O)C(=C)CC

InChI

InChI=1S/C29H39NO4/c1-4-6-19-32-20-21-33-26-14-11-24(12-15-26)25-13-16-27(30-17-9-7-8-10-18-30)28(22-25)34-29(31)23(3)5-2/h11-16,22H,3-10,17-21H2,1-2H3