[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C29H27N3O3/c1-21(2)32(26-16-14-25(15-17-26)31-24-11-4-3-5-12-24)27(33)20-35-28(34)18-13-23-9-6-8-22-10-7-19-30-29(22)23/h3-19,21,31H,20H2,1-2H3/b18-13+