4-(3-cyanophenyl)-2,6-dimethyl-5-[[(E)-3-phenylprop-2-enyl]carbamoyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-[[(E)-3-phenylprop-2-enyl]carbamoyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[[(E)-cinnamyl]carbamoyl]-4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-[oxo-[[(E)-3-phenylprop-2-enyl]amino]methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-[[(E)-3-phenylprop-2-enyl]carbamoyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[[(E)-cinnamyl]carbamoyl]-4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC(=C2)C#N)C(=O)NCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC(=C2)C#N)C(=O)NC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H23N3O3/c1-16-21(24(29)27-13-7-11-18-8-4-3-5-9-18)23(22(25(30)31)17(2)28-16)20-12-6-10-19(14-20)15-26/h3-12,14,23,28H,13H2,1-2H3,(H,27,29)(H,30,31)/b11-7+