methyl 2-[4-(4-isocyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(4-isocyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(4-isocyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]acetate CAS Name: 2-[4-(4-isocyano-5-methyl-4-phenylhexyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-isocyano-5-methyl-4-phenylhexyl)piperazin-1-yl]acetate Traditional Name: 2-[4-(4-isocyano-5-methyl-4-phenyl-hexyl)piperazino]acetic acid methyl ester Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC(=O)OC)(C2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC(=O)OC)(C2=CC=CC=C2)[N+]#[C-]

InChI

InChI=1S/C21H31N3O2/c1-18(2)21(22-3,19-9-6-5-7-10-19)11-8-12-23-13-15-24(16-14-23)17-20(25)26-4/h5-7,9-10,18H,8,11-17H2,1-2,4H3