3-[(4-pentoxyphenyl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[(4-pentoxyphenyl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[(4-pentoxybenzoyl)amino]-3-phenyl-propanoic acid CAS Name: 3-[[oxo-(4-pentoxyphenyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(4-pentoxybenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 3-[(4-amoxybenzoyl)amino]-3-phenyl-propionic acid Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-2-3-7-14-26-18-12-10-17(11-13-18)21(25)22-19(15-20(23)24)16-8-5-4-6-9-16/h4-6,8-13,19H,2-3,7,14-15H2,1H3,(H,22,25)(H,23,24)