2-[3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[[(hexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C30H36N2O3S/c1-2-3-4-8-19-31-30(35)32(20-11-15-24-12-6-5-7-13-24)26-16-10-18-28(23-26)36-27-17-9-14-25(21-27)22-29(33)34/h5-7,9-10,12-14,16-18,21,23H,2-4,8,11,15,19-20,22H2,1H3,(H,31,35)(H,33,34)