ethyl 1-[(2S,3S)-2-benzamido-3-methyl-pentanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S,3S)-2-benzamido-3-methyl-pentanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S,3S)-2-benzamido-3-methyl-pentanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S,3S)-2-benzamido-3-methyl-1-oxopentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S,3S)-2-benzamido-3-methylpentanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S,3S)-2-benzamido-3-methyl-pentanoyl]isonipecotic acid ethyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC(CC1)C(=O)OCC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC(CC1)C(=O)OCC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4/c1-4-15(3)18(22-19(24)16-9-7-6-8-10-16)20(25)23-13-11-17(12-14-23)21(26)27-5-2/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,22,24)/t15-,18-/m0/s1