ethyl 2-methylidene-6-oxidanylidene-4-(3-phenoxyphenyl)piperidine-3-carboxylate

Systemtic Name: ethyl 2-methylidene-6-oxidanylidene-4-(3-phenoxyphenyl)piperidine-3-carboxylate Openeye Name: ethyl 2-methylene-6-oxo-4-(3-phenoxyphenyl)piperidine-3-carboxylate CAS Name: 2-methylene-6-oxo-4-(3-phenoxyphenyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylidene-6-oxo-4-(3-phenoxyphenyl)piperidine-3-carboxylate Traditional Name: 6-keto-2-methylene-4-(3-phenoxyphenyl)nipecotic acid ethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=O)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(CC(=O)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-3-25-21(24)20-14(2)22-19(23)13-18(20)15-8-7-11-17(12-15)26-16-9-5-4-6-10-16/h4-12,18,20H,2-3,13H2,1H3,(H,22,23)