ethyl 1-[(4-chlorophenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-chlorophenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-chlorophenyl)carbamoyl]-4-(tetrahydropyran-2-ylmethyl)piperidine-4-carboxylate CAS Name: 1-[(4-chloroanilino)-oxomethyl]-4-(2-oxanylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chlorophenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Traditional Name: 1-[(4-chlorophenyl)carbamoyl]-4-(tetrahydropyran-2-ylmethyl)isonipecotic acid ethyl ester Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O4/c1-2-27-19(25)21(15-18-5-3-4-14-28-18)10-12-24(13-11-21)20(26)23-17-8-6-16(22)7-9-17/h6-9,18H,2-5,10-15H2,1H3,(H,23,26)