O3-ethyl O6-propan-2-yl 4-[(4-cyanophenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-propan-2-yl 4-[(4-cyanophenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-isopropyl 4-(4-cyanoanilino)quinoline-3,6-dicarboxylate CAS Name: 4-(4-cyanoanilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-propan-2-yl ester IUPAC Name: 3-O-ethyl 6-O-propan-2-yl 4-(4-cyanoanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(4-cyanoanilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-isopropyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)C#N)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)C#N)C(=O)OC(C)C

InChI

InChI=1S/C23H21N3O4/c1-4-29-23(28)19-13-25-20-10-7-16(22(27)30-14(2)3)11-18(20)21(19)26-17-8-5-15(12-24)6-9-17/h5-11,13-14H,4H2,1-3H3,(H,25,26)