[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C30H24N4O3 MolecularWeight: 488.53656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C30H24N4O3/c31-16-6-18-34(19-7-17-32)29(35)21-37-30(36)26-20-28(33-27-11-5-4-10-25(26)27)24-14-12-23(13-15-24)22-8-2-1-3-9-22/h1-5,8-15,20H,6-7,18-19,21H2