2-methyl-4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid

Systemtic Name: 2-methyl-4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid Openeye Name: 2-methyl-4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid CAS Name: 2-methyl-4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid IUPAC Name: 2-methyl-4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid Traditional Name: 2-methyl-4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butyric acid Formula: C32H47NO2 MolecularWeight: 477.72108

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)NCCCCCCCCCCCCC=CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)NCCCCCCCCCCCC/C=C/CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C32H47NO2/c1-28(32(34)35)21-22-30-23-25-31(26-24-30)33-27-17-12-10-8-6-4-2-3-5-7-9-11-14-18-29-19-15-13-16-20-29/h11,13-16,19-20,23-26,28,33H,2-10,12,17-18,21-22,27H2,1H3,(H,34,35)/b14-11+