3-[4-[[3-cyclopentylpentanoyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[3-cyclopentylpentanoyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[4-[[3-cyclopentylpentanoyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[4-[[(3-cyclopentyl-1-oxopentyl)-[(4-dec-1-ynylphenyl)methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[3-cyclopentylpentanoyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[4-[[3-cyclopentylpentanoyl-(4-dec-1-ynylbenzyl)amino]methyl]phenyl]propionic acid Formula: C37H51NO3 MolecularWeight: 557.80574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)CCC(=O)O)C(=O)CC(CC)C3CCCC3

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)CCC(=O)O)C(=O)CC(CC)C3CCCC3

InChI

InChI=1S/C37H51NO3/c1-3-5-6-7-8-9-10-11-14-30-17-21-32(22-18-30)28-38(36(39)27-34(4-2)35-15-12-13-16-35)29-33-23-19-31(20-24-33)25-26-37(40)41/h17-24,34-35H,3-10,12-13,15-16,25-29H2,1-2H3,(H,40,41)