ethyl 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]propanoate

Systemtic Name: ethyl 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]propanoate Openeye Name: ethyl 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-5-phenyl-cyclohexen-1-yl)amino]propanoate CAS Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-5-phenyl-1-cyclohexenyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-5-phenylcyclohexen-1-yl)amino]propanoate Traditional Name: 2-[(3-keto-5-phenyl-cyclohexen-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid ethyl ester Formula: C31H30N4O3 MolecularWeight: 506.5949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NC2=NC=CC3=C2C=CN=C3)NC4=CC(=O)CC(C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)NC2=NC=CC3=C2C=CN=C3)NC4=CC(=O)CC(C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O3/c1-2-38-31(37)29(34-26-17-24(18-27(36)19-26)22-6-4-3-5-7-22)16-21-8-10-25(11-9-21)35-30-28-13-14-32-20-23(28)12-15-33-30/h3-15,19-20,24,29,34H,2,16-18H2,1H3,(H,33,35)