methyl 2-[[3-[[ethanoyl(3-phenylpropyl)amino]methyl]phenoxy]methyl]-6-methyl-benzoate

Systemtic Name: methyl 2-[[3-[[ethanoyl(3-phenylpropyl)amino]methyl]phenoxy]methyl]-6-methyl-benzoate Openeye Name: methyl 2-[[3-[[acetyl(3-phenylpropyl)amino]methyl]phenoxy]methyl]-6-methyl-benzoate CAS Name: 2-[[3-[[acetyl(3-phenylpropyl)amino]methyl]phenoxy]methyl]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[[3-[[acetyl(3-phenylpropyl)amino]methyl]phenoxy]methyl]-6-methylbenzoate Traditional Name: 2-[[3-[[acetyl(3-phenylpropyl)amino]methyl]phenoxy]methyl]-6-methyl-benzoic acid methyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CN(CCCC3=CC=CC=C3)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CN(CCCC3=CC=CC=C3)C(=O)C)C(=O)OC

InChI

InChI=1S/C28H31NO4/c1-21-10-7-15-25(27(21)28(31)32-3)20-33-26-16-8-13-24(18-26)19-29(22(2)30)17-9-14-23-11-5-4-6-12-23/h4-8,10-13,15-16,18H,9,14,17,19-20H2,1-3H3