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

Systemtic Name: quinolin-8-ylmethyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: 8-quinolylmethyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid 8-quinolylmethyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)OCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)/C=C(\C#N)/C(=O)OCC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C23H23N3O3/c1-16-12-20(17(2)26(16)10-11-28-3)13-21(14-24)23(27)29-15-19-7-4-6-18-8-5-9-25-22(18)19/h4-9,12-13H,10-11,15H2,1-3H3/b21-13+