(2S)-4-(4-chloranyl-3-methoxy-phenyl)-2-prop-2-enyl-piperazine-1-carboxylic acid

Systemtic Name: (2S)-4-(4-chloranyl-3-methoxy-phenyl)-2-prop-2-enyl-piperazine-1-carboxylic acid Openeye Name: (2S)-2-allyl-4-(4-chloro-3-methoxy-phenyl)piperazine-1-carboxylic acid CAS Name: (2S)-4-(4-chloro-3-methoxyphenyl)-2-prop-2-enyl-1-piperazinecarboxylic acid IUPAC Name: (2S)-4-(4-chloro-3-methoxyphenyl)-2-prop-2-enylpiperazine-1-carboxylic acid Traditional Name: (2S)-2-allyl-4-(4-chloro-3-methoxy-phenyl)piperazine-1-carboxylic acid Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCN(C(C2)CC=C)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCN([C@H](C2)CC=C)C(=O)O)Cl

InChI

InChI=1S/C15H19ClN2O3/c1-3-4-12-10-17(7-8-18(12)15(19)20)11-5-6-13(16)14(9-11)21-2/h3,5-6,9,12H,1,4,7-8,10H2,2H3,(H,19,20)/t12-/m0/s1