ethyl 4-[(3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(Z)-2-chloro-3-phenyl-allyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(Z)-2-chloro-3-phenyl-allyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30ClN3O2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCCN(C2)C/C(=C/C3=CC=CC=C3)/Cl

InChI

InChI=1S/C21H30ClN3O2/c1-2-27-21(26)25-13-11-24(12-14-25)20-9-6-10-23(17-20)16-19(22)15-18-7-4-3-5-8-18/h3-5,7-8,15,20H,2,6,9-14,16-17H2,1H3/b19-15-/t20-/m0/s1