3-[(4-azanyl-2-methyl-quinolin-6-yl)carbamoyl]-2-phenylmethoxy-benzoic acid

Systemtic Name: 3-[(4-azanyl-2-methyl-quinolin-6-yl)carbamoyl]-2-phenylmethoxy-benzoic acid Openeye Name: 3-[(4-amino-2-methyl-6-quinolyl)carbamoyl]-2-benzyloxy-benzoic acid CAS Name: 3-[[(4-amino-2-methyl-6-quinolinyl)amino]-oxomethyl]-2-phenylmethoxybenzoic acid IUPAC Name: 3-[(4-amino-2-methylquinolin-6-yl)carbamoyl]-2-phenylmethoxybenzoic acid Traditional Name: 3-[(4-amino-2-methyl-6-quinolyl)carbamoyl]-2-benzoxy-benzoic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=O)C3=C(C(=CC=C3)C(=O)O)OCC4=CC=CC=C4)C(=C1)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=O)C3=C(C(=CC=C3)C(=O)O)OCC4=CC=CC=C4)C(=C1)N

InChI

InChI=1S/C25H21N3O4/c1-15-12-21(26)20-13-17(10-11-22(20)27-15)28-24(29)18-8-5-9-19(25(30)31)23(18)32-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)(H,30,31)