3-[4-[3-[(4-butylphenyl)carbamoyl-methyl-amino]phenyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[(4-butylphenyl)carbamoyl-methyl-amino]phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[(4-butylphenyl)carbamoyl-methyl-amino]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[(4-butylanilino)-oxomethyl]-methylamino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[(4-butylphenyl)carbamoyl-methylamino]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[(4-butylphenyl)carbamoyl-methyl-amino]phenyl]phenyl]propionic acid Formula: C27H30N2O3 MolecularWeight: 430.5387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N(C)C2=CC=CC(=C2)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N(C)C2=CC=CC(=C2)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C27H30N2O3/c1-3-4-6-20-11-16-24(17-12-20)28-27(32)29(2)25-8-5-7-23(19-25)22-14-9-21(10-15-22)13-18-26(30)31/h5,7-12,14-17,19H,3-4,6,13,18H2,1-2H3,(H,28,32)(H,30,31)