2-azanyl-6-methyl-5-propan-2-yloxycarbonyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate hydrate

Systemtic Name: 2-azanyl-6-methyl-5-propan-2-yloxycarbonyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate hydrate Openeye Name: 2-amino-5-isopropoxycarbonyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate hydrate CAS Name: 2-amino-6-methyl-5-[oxo(propan-2-yloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate hydrate IUPAC Name: 2-amino-6-methyl-5-propan-2-yloxycarbonyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate hydrate Traditional Name: 2-amino-5-isopropoxycarbonyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate hydrate Formula: C18H20F3N2O5- MolecularWeight: 401.35701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)[O-])C2=CC(=CC=C2)C(F)(F)F)C(=O)OC(C)C.O

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)[O-])C2=CC(=CC=C2)C(F)(F)F)C(=O)OC(C)C.O

InChI

InChI=1S/C18H19F3N2O4.H2O/c1-8(2)27-17(26)12-9(3)23-15(22)14(16(24)25)13(12)10-5-4-6-11(7-10)18(19,20)21;/h4-8,13,23H,22H2,1-3H3,(H,24,25);1H2/p-1