3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(E)-2-phenylethenyl]phenyl]propanoic acid

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(E)-2-phenylethenyl]phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(E)-styryl]phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-[(E)-2-phenylethenyl]phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[(E)-2-phenylethenyl]phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(E)-styryl]phenyl]propionic acid Formula: C31H35NO3 MolecularWeight: 469.6145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)C=CC3=CC=CC=C3)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)/C=C/C3=CC=CC=C3)CCC(=O)O)C

InChI

InChI=1S/C31H35NO3/c1-21(2)16-29(27-18-22(3)17-23(4)19-27)32-31(35)28-20-25(11-10-24-8-6-5-7-9-24)12-13-26(28)14-15-30(33)34/h5-13,17-21,29H,14-16H2,1-4H3,(H,32,35)(H,33,34)/b11-10+