ethyl (3S)-1-[1-(phenylcarbamoyl)piperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[1-(phenylcarbamoyl)piperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[1-[anilino(oxo)methyl]-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[1-(phenylcarbamoyl)isonipecotoyl]nipecotic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4/c1-2-28-20(26)17-7-6-12-24(15-17)19(25)16-10-13-23(14-11-16)21(27)22-18-8-4-3-5-9-18/h3-5,8-9,16-17H,2,6-7,10-15H2,1H3,(H,22,27)/t17-/m0/s1