5-(2-azanyl-2-oxidanylidene-ethoxy)carbonyl-6-phenethyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-(2-azanyl-2-oxidanylidene-ethoxy)carbonyl-6-phenethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-(2-amino-2-oxo-ethoxy)carbonyl-6-phenethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[(2-amino-2-oxoethoxy)-oxomethyl]-6-phenethyl-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-(2-amino-2-oxoethoxy)carbonyl-6-phenethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(2-amino-2-keto-ethoxy)carbonyl-6-phenethyl-1,4-dihydropyridine-3-carboxylate Formula: C17H17N2O5- MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CNC(=C1C(=O)OCC(=O)N)CCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C(=CNC(=C1C(=O)OCC(=O)N)CCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H18N2O5/c18-15(20)10-24-17(23)13-8-12(16(21)22)9-19-14(13)7-6-11-4-2-1-3-5-11/h1-5,9,19H,6-8,10H2,(H2,18,20)(H,21,22)/p-1