ethyl 1-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-chloro-4-methyl-phenyl)carbamoyl]-4-(tetrahydropyran-2-ylmethyl)piperidine-4-carboxylate CAS Name: 1-[(3-chloro-4-methylanilino)-oxomethyl]-4-(2-oxanylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-chloro-4-methylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Traditional Name: 1-[(3-chloro-4-methyl-phenyl)carbamoyl]-4-(tetrahydropyran-2-ylmethyl)isonipecotic acid ethyl ester Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC(=C(C=C2)C)Cl)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC(=C(C=C2)C)Cl)CC3CCCCO3

InChI

InChI=1S/C22H31ClN2O4/c1-3-28-20(26)22(15-18-6-4-5-13-29-18)9-11-25(12-10-22)21(27)24-17-8-7-16(2)19(23)14-17/h7-8,14,18H,3-6,9-13,15H2,1-2H3,(H,24,27)