methyl 1-[(3,5-dimethyl-2,6-diphenoxy-pyridin-4-yl)-methyl-amino]cyclopentane-1-carboxylate

Systemtic Name: methyl 1-[(3,5-dimethyl-2,6-diphenoxy-pyridin-4-yl)-methyl-amino]cyclopentane-1-carboxylate Openeye Name: methyl 1-[(3,5-dimethyl-2,6-diphenoxy-4-pyridyl)-methyl-amino]cyclopentanecarboxylate CAS Name: 1-[(3,5-dimethyl-2,6-diphenoxy-4-pyridinyl)-methylamino]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3,5-dimethyl-2,6-diphenoxypyridin-4-yl)-methylamino]cyclopentane-1-carboxylate Traditional Name: 1-[(3,5-dimethyl-2,6-diphenoxy-4-pyridyl)-methyl-amino]cyclopentanecarboxylic acid methyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1OC2=CC=CC=C2)OC3=CC=CC=C3)C)N(C)C4(CCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N=C1OC2=CC=CC=C2)OC3=CC=CC=C3)C)N(C)C4(CCCC4)C(=O)OC

InChI

InChI=1S/C27H30N2O4/c1-19-23(29(3)27(26(30)31-4)17-11-12-18-27)20(2)25(33-22-15-9-6-10-16-22)28-24(19)32-21-13-7-5-8-14-21/h5-10,13-16H,11-12,17-18H2,1-4H3