4-[(4-tert-butylphenyl)methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-tert-butylphenyl)methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid Openeye Name: 4-[(4-tert-butylphenyl)methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid CAS Name: 4-[(4-tert-butylphenyl)methylamino]-6-cyano-8-ethyl-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-tert-butylphenyl)methylamino]-6-cyano-8-ethylquinoline-3-carboxylic acid Traditional Name: 4-[(4-tert-butylbenzyl)amino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid Formula: C24H25N3O2 MolecularWeight: 387.4742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C24H25N3O2/c1-5-17-10-16(12-25)11-19-21(17)27-14-20(23(28)29)22(19)26-13-15-6-8-18(9-7-15)24(2,3)4/h6-11,14H,5,13H2,1-4H3,(H,26,27)(H,28,29)