(E)-5-[4-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]phenyl]-6-phenyl-hept-2-enoic acid

Systemtic Name: (E)-5-[4-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]phenyl]-6-phenyl-hept-2-enoic acid Openeye Name: (E)-5-[4-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]phenyl]-6-phenyl-hept-2-enoic acid CAS Name: (E)-5-[4-[2-[methyl(phenethyl)amino]-2-oxoethyl]phenyl]-6-phenyl-2-heptenoic acid IUPAC Name: (E)-5-[4-[2-[methyl(phenethyl)amino]-2-oxoethyl]phenyl]-6-phenylhept-2-enoic acid Traditional Name: (E)-5-[4-[2-keto-2-[methyl(phenethyl)amino]ethyl]phenyl]-6-phenyl-hept-2-enoic acid Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CC=CC(=O)O)C2=CC=C(C=C2)CC(=O)N(C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)C(C/C=C/C(=O)O)C2=CC=C(C=C2)CC(=O)N(C)CCC3=CC=CC=C3

InChI

InChI=1S/C30H33NO3/c1-23(26-12-7-4-8-13-26)28(14-9-15-30(33)34)27-18-16-25(17-19-27)22-29(32)31(2)21-20-24-10-5-3-6-11-24/h3-13,15-19,23,28H,14,20-22H2,1-2H3,(H,33,34)/b15-9+