[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O5/c27-13-7-14-28(21-10-2-1-3-11-21)24(30)18-34-26(32)22-16-19-8-4-5-9-20(19)17-29(22)25(31)23-12-6-15-33-23/h1-6,8-12,15,22H,7,14,16-18H2