[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl 2,5-bis(azanyl)pentanoate

Systemtic Name: [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl 2,5-bis(azanyl)pentanoate Openeye Name: [8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl 2,5-diaminopentanoate CAS Name: 2,5-diaminopentanoic acid [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl ester IUPAC Name: [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl 2,5-diaminopentanoate Traditional Name: 2,5-diaminovaleric acid [8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl ester Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC3CCC(C2)N3C)COC(=O)C(CCCN)N

Isomeric SMILES

CC1=CC=C(C=C1)C2(CC3CCC(C2)N3C)COC(=O)C(CCCN)N

InChI

InChI=1S/C21H33N3O2/c1-15-5-7-16(8-6-15)21(12-17-9-10-18(13-21)24(17)2)14-26-20(25)19(23)4-3-11-22/h5-8,17-19H,3-4,9-14,22-23H2,1-2H3