ethyl (3S)-1-[2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxidanylidene-pyridin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxidanylidene-pyridin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(methoxymethyl)-6-methyl-1-(1-naphthylmethyl)-4-oxo-pyridine-3-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-(methoxymethyl)-6-methyl-1-(1-naphthalenylmethyl)-4-oxo-3-pyridinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-keto-2-(methoxymethyl)-6-methyl-1-(1-naphthylmethyl)nicotinoyl]nipecotic acid ethyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(C(=CC2=O)C)CC3=CC=CC4=CC=CC=C43)COC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(N(C(=CC2=O)C)CC3=CC=CC4=CC=CC=C43)COC

InChI

InChI=1S/C28H32N2O5/c1-4-35-28(33)22-12-8-14-29(16-22)27(32)26-24(18-34-3)30(19(2)15-25(26)31)17-21-11-7-10-20-9-5-6-13-23(20)21/h5-7,9-11,13,15,22H,4,8,12,14,16-18H2,1-3H3/t22-/m0/s1