methyl 3-[3-(1-methoxy-1-oxidanylidene-propan-2-yl)iminopropyl]-4-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: methyl 3-[3-(1-methoxy-1-oxidanylidene-propan-2-yl)iminopropyl]-4-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: methyl 1-benzyl-3-[3-(2-methoxy-1-methyl-2-oxo-ethyl)iminopropyl]-4-oxo-piperidine-3-carboxylate CAS Name: 3-[3-(1-methoxy-1-oxopropan-2-yl)iminopropyl]-4-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-[3-(1-methoxy-1-oxopropan-2-yl)iminopropyl]-4-oxopiperidine-3-carboxylate Traditional Name: 1-benzyl-4-keto-3-[3-(2-keto-2-methoxy-1-methyl-ethyl)iminopropyl]nipecotic acid methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N=CCCC1(CN(CCC1=O)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C(=O)OC)N=CCCC1(CN(CCC1=O)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O5/c1-16(19(25)27-2)22-12-7-11-21(20(26)28-3)15-23(13-10-18(21)24)14-17-8-5-4-6-9-17/h4-6,8-9,12,16H,7,10-11,13-15H2,1-3H3