calcium (E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxidanylidene-8-phosphonato-5,6-dihydro-1,8-naphthyridin-3-yl)prop-2-enamide

Systemtic Name: calcium (E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxidanylidene-8-phosphonato-5,6-dihydro-1,8-naphthyridin-3-yl)prop-2-enamide Openeye Name: calcium (E)-N-methyl-N-[(3-methylbenzofuran-2-yl)methyl]-3-(7-oxo-8-phosphonato-5,6-dihydro-1,8-naphthyridin-3-yl)prop-2-enamide CAS Name: calcium (E)-N-methyl-N-[(3-methyl-2-benzofuranyl)methyl]-3-(7-oxo-8-phosphonato-5,6-dihydro-1,8-naphthyridin-3-yl)-2-propenamide IUPAC Name: calcium (E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-8-phosphonato-5,6-dihydro-1,8-naphthyridin-3-yl)prop-2-enamide Traditional Name: calcium (E)-3-(7-keto-8-phosphonato-5,6-dihydro-1,8-naphthyridin-3-yl)-N-methyl-N-[(3-methylbenzofuran-2-yl)methyl]acrylamide Formula: C22H20CaN3O6P MolecularWeight: 493.462461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)CN(C)C(=O)C=CC3=CC4=C(N=C3)N(C(=O)CC4)P(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(N=C3)N(C(=O)CC4)P(=O)([O-])[O-].[Ca+2]

InChI

InChI=1S/C22H22N3O6P.Ca/c1-14-17-5-3-4-6-18(17)31-19(14)13-24(2)20(26)9-7-15-11-16-8-10-21(27)25(32(28,29)30)22(16)23-12-15;/h3-7,9,11-12H,8,10,13H2,1-2H3,(H2,28,29,30);/q;+2/p-2/b9-7+;