(E)-3-[3,5-bis(dimethylamino)-4-methyl-phenyl]-4-phenylazanyl-but-3-enoic acid

Systemtic Name: (E)-3-[3,5-bis(dimethylamino)-4-methyl-phenyl]-4-phenylazanyl-but-3-enoic acid Openeye Name: (E)-4-anilino-3-[3,5-bis(dimethylamino)-4-methyl-phenyl]but-3-enoic acid CAS Name: (E)-4-anilino-3-[3,5-bis(dimethylamino)-4-methylphenyl]-3-butenoic acid IUPAC Name: (E)-4-anilino-3-[3,5-bis(dimethylamino)-4-methylphenyl]but-3-enoic acid Traditional Name: (E)-4-anilino-3-[3,5-bis(dimethylamino)-4-methyl-phenyl]but-3-enoic acid Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N(C)C)C(=CNC2=CC=CC=C2)CC(=O)O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1N(C)C)/C(=C/NC2=CC=CC=C2)/CC(=O)O)N(C)C

InChI

InChI=1S/C21H27N3O2/c1-15-19(23(2)3)11-16(12-20(15)24(4)5)17(13-21(25)26)14-22-18-9-7-6-8-10-18/h6-12,14,22H,13H2,1-5H3,(H,25,26)/b17-14+