3-[3-butoxy-4-[3-[[(4-ethoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]propanoic acid

Systemtic Name: 3-[3-butoxy-4-[3-[[(4-ethoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[3-[[(4-ethoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[3-[[[(4-ethoxyphenyl)-oxomethyl]-methylamino]methyl]phenyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[3-[[(4-ethoxybenzoyl)-methylamino]methyl]phenyl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[3-[[(4-ethoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propionic acid Formula: C30H35NO5 MolecularWeight: 489.6026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CCC(=O)O)C2=CC(=CC=C2)CN(C)C(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CCC(=O)O)C2=CC(=CC=C2)CN(C)C(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C30H35NO5/c1-4-6-18-36-28-20-22(11-17-29(32)33)10-16-27(28)25-9-7-8-23(19-25)21-31(3)30(34)24-12-14-26(15-13-24)35-5-2/h7-10,12-16,19-20H,4-6,11,17-18,21H2,1-3H3,(H,32,33)