2-azanyl-4-(3-cyanophenyl)-6-methyl-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylate hydrate

Systemtic Name: 2-azanyl-4-(3-cyanophenyl)-6-methyl-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylate hydrate Openeye Name: 2-amino-4-(3-cyanophenyl)-5-isopropoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylate hydrate CAS Name: 2-amino-4-(3-cyanophenyl)-6-methyl-5-[oxo(propan-2-yloxy)methyl]-1,4-dihydropyridine-3-carboxylate hydrate IUPAC Name: 2-amino-4-(3-cyanophenyl)-6-methyl-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylate hydrate Traditional Name: 2-amino-4-(3-cyanophenyl)-5-isopropoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylate hydrate Formula: C18H20N3O5- MolecularWeight: 358.3685

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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#N)C(=O)OC(C)C.O

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4.H2O/c1-9(2)25-18(24)13-10(3)21-16(20)15(17(22)23)14(13)12-6-4-5-11(7-12)8-19;/h4-7,9,14,21H,20H2,1-3H3,(H,22,23);1H2/p-1