4-[4-[2-dimethylaminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-dimethylaminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]benzoic acid Openeye Name: 4-[4-[tert-butoxycarbonyl(2-dimethylaminoethyl)amino]-1-piperidyl]benzoic acid CAS Name: 4-[4-[2-dimethylaminoethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]benzoic acid IUPAC Name: 4-[4-[2-dimethylaminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]benzoic acid Traditional Name: 4-[4-[tert-butoxycarbonyl(2-dimethylaminoethyl)amino]piperidino]benzoic acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCN(C)C)C1CCN(CC1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CCN(C)C)C1CCN(CC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H33N3O4/c1-21(2,3)28-20(27)24(15-14-22(4)5)18-10-12-23(13-11-18)17-8-6-16(7-9-17)19(25)26/h6-9,18H,10-15H2,1-5H3,(H,25,26)