quinolin-8-ylmethyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: quinolin-8-ylmethyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: 8-quinolylmethyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid 8-quinolylmethyl ester Formula: C23H23N3O2 MolecularWeight: 373.44762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=CC=CC3=C2N=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=CC=CC3=C2N=CC=C3)C

InChI

InChI=1S/C23H23N3O2/c1-4-11-26-16(2)12-20(17(26)3)13-21(14-24)23(27)28-15-19-8-5-7-18-9-6-10-25-22(18)19/h5-10,12-13H,4,11,15H2,1-3H3/b21-13+