4-[4-[[2-(2-methoxyphenyl)ethyl-pentanoyl-amino]methyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[[2-(2-methoxyphenyl)ethyl-pentanoyl-amino]methyl]phenyl]benzoic acid Openeye Name: 4-[4-[[2-(2-methoxyphenyl)ethyl-pentanoyl-amino]methyl]phenyl]benzoic acid CAS Name: 4-[4-[[2-(2-methoxyphenyl)ethyl-(1-oxopentyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 4-[4-[[2-(2-methoxyphenyl)ethyl-pentanoylamino]methyl]phenyl]benzoic acid Traditional Name: 4-[4-[[2-(2-methoxyphenyl)ethyl-valeryl-amino]methyl]phenyl]benzoic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCC1=CC=CC=C1OC)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CCC1=CC=CC=C1OC)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-3-4-9-27(30)29(19-18-24-7-5-6-8-26(24)33-2)20-21-10-12-22(13-11-21)23-14-16-25(17-15-23)28(31)32/h5-8,10-17H,3-4,9,18-20H2,1-2H3,(H,31,32)