13-azanyl-7-[(2-methyl-4-phenyl-quinolin-3-yl)methyl]-5-oxidanylidene-tridecanoic acid

Systemtic Name: 13-azanyl-7-[(2-methyl-4-phenyl-quinolin-3-yl)methyl]-5-oxidanylidene-tridecanoic acid Openeye Name: 13-amino-7-[(2-methyl-4-phenyl-3-quinolyl)methyl]-5-oxo-tridecanoic acid CAS Name: 13-amino-7-[(2-methyl-4-phenyl-3-quinolinyl)methyl]-5-oxotridecanoic acid IUPAC Name: 13-amino-7-[(2-methyl-4-phenylquinolin-3-yl)methyl]-5-oxotridecanoic acid Traditional Name: 13-amino-5-keto-7-[(2-methyl-4-phenyl-3-quinolyl)methyl]tridecanoic acid Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1CC(CCCCCCN)CC(=O)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1CC(CCCCCCN)CC(=O)CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C30H38N2O3/c1-22-27(30(24-13-6-4-7-14-24)26-16-8-9-17-28(26)32-22)21-23(12-5-2-3-10-19-31)20-25(33)15-11-18-29(34)35/h4,6-9,13-14,16-17,23H,2-3,5,10-12,15,18-21,31H2,1H3,(H,34,35)