1-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-chloro-4-methoxy-phenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-chloro-4-methoxyanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-chloro-4-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-chloro-4-methoxy-phenyl)carbamoyl]nipecotic acid Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CCCC(C2)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCCC(C2)C(=O)O)Cl

InChI

InChI=1S/C14H17ClN2O4/c1-21-12-5-4-10(7-11(12)15)16-14(20)17-6-2-3-9(8-17)13(18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)