butan-2-yl 4-[[4-[4-(aminomethyl)phenyl]piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: butan-2-yl 4-[[4-[4-(aminomethyl)phenyl]piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: sec-butyl 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[4-[4-(aminomethyl)phenyl]-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-[4-(aminomethyl)phenyl]piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid sec-butyl ester Formula: C24H38N4O3 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1CCC(CC1)N(C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)CN

Isomeric SMILES

CCC(C)OC(=O)C1CCC(CC1)N(C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)CN

InChI

InChI=1S/C24H38N4O3/c1-4-18(2)31-23(29)20-7-11-21(12-8-20)26(3)24(30)28-15-13-27(14-16-28)22-9-5-19(17-25)6-10-22/h5-6,9-10,18,20-21H,4,7-8,11-17,25H2,1-3H3