1-methyl-2-oxidanyl-3-[(3S)-3-(2-oxidanylnaphthalen-1-yl)-3-(pyridin-4-ylmethylamino)propanoyl]quinolin-4-one

Systemtic Name: 1-methyl-2-oxidanyl-3-[(3S)-3-(2-oxidanylnaphthalen-1-yl)-3-(pyridin-4-ylmethylamino)propanoyl]quinolin-4-one Openeye Name: 2-hydroxy-3-[(3S)-3-(2-hydroxy-1-naphthyl)-3-(4-pyridylmethylamino)propanoyl]-1-methyl-quinolin-4-one CAS Name: 2-hydroxy-3-[(3S)-3-(2-hydroxy-1-naphthalenyl)-1-oxo-3-(pyridin-4-ylmethylamino)propyl]-1-methyl-4-quinolinone IUPAC Name: 2-hydroxy-3-[(3S)-3-(2-hydroxynaphthalen-1-yl)-3-(pyridin-4-ylmethylamino)propanoyl]-1-methylquinolin-4-one Traditional Name: 2-hydroxy-3-[(3S)-3-(2-hydroxy-1-naphthyl)-3-(4-pyridylmethylamino)propanoyl]-1-methyl-4-quinolone Formula: C29H25N3O4 MolecularWeight: 479.5265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)CC(C3=C(C=CC4=CC=CC=C43)O)NCC5=CC=NC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C[C@@H](C3=C(C=CC4=CC=CC=C43)O)NCC5=CC=NC=C5

InChI

InChI=1S/C29H25N3O4/c1-32-23-9-5-4-8-21(23)28(35)27(29(32)36)25(34)16-22(31-17-18-12-14-30-15-13-18)26-20-7-3-2-6-19(20)10-11-24(26)33/h2-15,22,31,33,36H,16-17H2,1H3/t22-/m0/s1