[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] quinoline-2-carboxylate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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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)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H25N3O3/c1-19(2)30(23-15-13-22(14-16-23)28-21-9-4-3-5-10-21)26(31)18-33-27(32)25-17-12-20-8-6-7-11-24(20)29-25/h3-17,19,28H,18H2,1-2H3