ethyl (3S)-1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[4-(1-naphthylmethyl)piperazin-1-yl]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[4-(1-naphthylmethyl)piperazino]ethyl]nipecotic acid ethyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H33N3O3/c1-2-31-25(30)22-10-6-12-27(18-22)19-24(29)28-15-13-26(14-16-28)17-21-9-5-8-20-7-3-4-11-23(20)21/h3-5,7-9,11,22H,2,6,10,12-19H2,1H3/t22-/m0/s1