methyl 4-[[4-[2-cyano-3-oxidanylidene-3-(quinolin-5-ylamino)prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-cyano-3-oxidanylidene-3-(quinolin-5-ylamino)prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[2-cyano-3-oxo-3-(5-quinolylamino)prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[2-cyano-3-oxo-3-(5-quinolinylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[2-cyano-3-keto-3-(5-quinolylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C28H21N3O4 MolecularWeight: 463.48404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C28H21N3O4/c1-34-28(33)21-11-7-20(8-12-21)18-35-23-13-9-19(10-14-23)16-22(17-29)27(32)31-26-6-2-5-25-24(26)4-3-15-30-25/h2-16H,18H2,1H3,(H,31,32)