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

Systemtic Name: ethyl 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-prop-2-enyl-cyclohexen-1-yl)amino]propanoate Openeye Name: ethyl 2-[(2-allyl-3-oxo-cyclohexen-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoate CAS Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-prop-2-enyl-1-cyclohexenyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-prop-2-enylcyclohexen-1-yl)amino]propanoate Traditional Name: 2-[(2-allyl-3-keto-cyclohexen-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid ethyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NC2=NC=CC3=C2C=CN=C3)NC4=C(C(=O)CCC4)CC=C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)NC2=NC=CC3=C2C=CN=C3)NC4=C(C(=O)CCC4)CC=C

InChI

InChI=1S/C28H30N4O3/c1-3-6-23-24(7-5-8-26(23)33)32-25(28(34)35-4-2)17-19-9-11-21(12-10-19)31-27-22-14-15-29-18-20(22)13-16-30-27/h3,9-16,18,25,32H,1,4-8,17H2,2H3,(H,30,31)