3-[[4-(1-phenyloctan-2-yl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(1-phenyloctan-2-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(1-benzylheptyl)benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-(1-phenyloctan-2-yl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-(1-phenyloctan-2-yl)benzoyl]amino]propanoic acid Traditional Name: 3-[[4-(1-benzylheptyl)benzoyl]amino]propionic acid Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CCCCCCC(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C24H31NO3/c1-2-3-4-8-11-22(18-19-9-6-5-7-10-19)20-12-14-21(15-13-20)24(28)25-17-16-23(26)27/h5-7,9-10,12-15,22H,2-4,8,11,16-18H2,1H3,(H,25,28)(H,26,27)