(3S)-1-[(3,4-dimethylphenyl)carbamoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[(3,4-dimethylphenyl)carbamoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[(3,4-dimethylphenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3,4-dimethylanilino)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(3,4-dimethylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3,4-dimethylphenyl)carbamoyl]nipecotate Formula: C15H19N2O3- MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCC(C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCC[C@@H](C2)C(=O)[O-])C

InChI

InChI=1S/C15H20N2O3/c1-10-5-6-13(8-11(10)2)16-15(20)17-7-3-4-12(9-17)14(18)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,20)(H,18,19)/p-1/t12-/m0/s1