propyl 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: propyl 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate Openeye Name: propyl 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]benzoic acid propyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3CC3)C)C#N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C)C3CC3)C)/C#N

InChI

InChI=1S/C23H25N3O3/c1-4-11-29-23(28)17-5-7-20(8-6-17)25-22(27)19(14-24)13-18-12-15(2)26(16(18)3)21-9-10-21/h5-8,12-13,21H,4,9-11H2,1-3H3,(H,25,27)/b19-13+