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

Systemtic Name: [2-(azepan-1-yl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] 2-methylprop-2-enoate Openeye Name: [2-(azepan-1-yl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [2-(1-azepanyl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] ester IUPAC Name: [2-(azepan-1-yl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [2-(azepan-1-yl)-5-[4-(2-butoxyethoxy)phenyl]phenyl] ester Formula: C28H37NO4 MolecularWeight: 451.59768

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO4/c1-4-5-18-31-19-20-32-25-13-10-23(11-14-25)24-12-15-26(29-16-8-6-7-9-17-29)27(21-24)33-28(30)22(2)3/h10-15,21H,2,4-9,16-20H2,1,3H3