(E)-4-chloranyl-4-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]but-2-enamide

Systemtic Name: (E)-4-chloranyl-4-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]but-2-enamide Openeye Name: (E)-4-[4-(4-benzyloxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-chloro-but-2-enamide CAS Name: (E)-4-chloro-4-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxy-6-quinolinyl]-2-butenamide IUPAC Name: (E)-4-chloro-4-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]but-2-enamide Traditional Name: (E)-4-[4-(4-benzoxy-3-chloro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-chloro-but-2-enamide Formula: C29H24Cl2N4O3 MolecularWeight: 547.43186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)C(C=CC(=O)N)Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)C(/C=C/C(=O)N)Cl

InChI

InChI=1S/C29H24Cl2N4O3/c1-2-37-27-14-25-22(13-21(27)23(30)9-11-28(33)36)29(19(15-32)16-34-25)35-20-8-10-26(24(31)12-20)38-17-18-6-4-3-5-7-18/h3-14,16,23H,2,17H2,1H3,(H2,33,36)(H,34,35)/b11-9+