ethyl (3S)-1-[3-(4-aminophenyl)-3-oxidanylidene-propyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(4-aminophenyl)-3-oxidanylidene-propyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(4-aminophenyl)-3-oxo-propyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(4-aminophenyl)-3-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(4-aminophenyl)-3-oxopropyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(4-aminophenyl)-3-keto-propyl]nipecotic acid ethyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CCC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CCC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C17H24N2O3/c1-2-22-17(21)14-4-3-10-19(12-14)11-9-16(20)13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12,18H2,1H3/t14-/m0/s1