ethyl 1-[(2S)-2-(3-chloranylphenoxy)propanoyl]-4-(cyclopropylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(3-chloranylphenoxy)propanoyl]-4-(cyclopropylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(3-chlorophenoxy)propanoyl]-4-(cyclopropylmethyl)piperidine-4-carboxylate CAS Name: 1-[(2S)-2-(3-chlorophenoxy)-1-oxopropyl]-4-(cyclopropylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(3-chlorophenoxy)propanoyl]-4-(cyclopropylmethyl)piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(3-chlorophenoxy)propanoyl]-4-(cyclopropylmethyl)isonipecotic acid ethyl ester Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C(C)OC2=CC(=CC=C2)Cl)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@H](C)OC2=CC(=CC=C2)Cl)CC3CC3

InChI

InChI=1S/C21H28ClNO4/c1-3-26-20(25)21(14-16-7-8-16)9-11-23(12-10-21)19(24)15(2)27-18-6-4-5-17(22)13-18/h4-6,13,15-16H,3,7-12,14H2,1-2H3/t15-/m0/s1