ditert-butyl 2-[2-[[1-(dicyclohexylmethyl)piperidin-4-yl]amino]phenyl]propanedioate

Systemtic Name: ditert-butyl 2-[2-[[1-(dicyclohexylmethyl)piperidin-4-yl]amino]phenyl]propanedioate Openeye Name: ditert-butyl 2-[2-[[1-(dicyclohexylmethyl)-4-piperidyl]amino]phenyl]propanedioate CAS Name: 2-[2-[[1-(dicyclohexylmethyl)-4-piperidinyl]amino]phenyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[2-[[1-(dicyclohexylmethyl)piperidin-4-yl]amino]phenyl]propanedioate Traditional Name: 2-[2-[[1-(dicyclohexylmethyl)-4-piperidyl]amino]phenyl]malonic acid ditert-butyl ester Formula: C35H56N2O4 MolecularWeight: 568.83014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CC=CC=C1NC2CCN(CC2)C(C3CCCCC3)C4CCCCC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=CC=CC=C1NC2CCN(CC2)C(C3CCCCC3)C4CCCCC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H56N2O4/c1-34(2,3)40-32(38)30(33(39)41-35(4,5)6)28-19-13-14-20-29(28)36-27-21-23-37(24-22-27)31(25-15-9-7-10-16-25)26-17-11-8-12-18-26/h13-14,19-20,25-27,30-31,36H,7-12,15-18,21-24H2,1-6H3