2-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenoxy]ethyl benzoate

Systemtic Name: 2-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenoxy]ethyl benzoate Openeye Name: 2-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenoxy]ethyl benzoate CAS Name: benzoic acid 2-[4-[3-[[(2-methyl-1-oxooctyl)amino]methyl]phenyl]phenoxy]ethyl ester IUPAC Name: 2-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenoxy]ethyl benzoate Traditional Name: benzoic acid 2-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenoxy]ethyl ester Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)OCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)OCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H37NO4/c1-3-4-5-7-11-24(2)30(33)32-23-25-12-10-15-28(22-25)26-16-18-29(19-17-26)35-20-21-36-31(34)27-13-8-6-9-14-27/h6,8-10,12-19,22,24H,3-5,7,11,20-21,23H2,1-2H3,(H,32,33)