4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2,6,7,8-tetramethyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2,6,7,8-tetramethyl-quinoline-3-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2,6,7,8-tetramethyl-quinoline-3-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2,6,7,8-tetramethyl-3-quinolinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2,6,7,8-tetramethylquinoline-3-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2,6,7,8-tetramethyl-quinoline-3-carboxylic acid Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=C(C(=N2)C)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl)C)C

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=C(C(=N2)C)C(=O)O)NCC3=CC(=C(C=C3)OC)Cl)C)C

InChI

InChI=1S/C22H23ClN2O3/c1-11-8-16-20(13(3)12(11)2)25-14(4)19(22(26)27)21(16)24-10-15-6-7-18(28-5)17(23)9-15/h6-9H,10H2,1-5H3,(H,24,25)(H,26,27)