4-[(2-methylpropan-2-yl)oxycarbonyl-(pyrrolidin-2-ylmethyl)amino]benzoate

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonyl-(pyrrolidin-2-ylmethyl)amino]benzoate Openeye Name: 4-[tert-butoxycarbonyl(pyrrolidin-2-ylmethyl)amino]benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(2-pyrrolidinylmethyl)amino]benzoate IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonyl-(pyrrolidin-2-ylmethyl)amino]benzoate Traditional Name: 4-[tert-butoxycarbonyl(pyrrolidin-2-ylmethyl)amino]benzoate Formula: C17H23N2O4- MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1CCCN1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1CCCN1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19(11-13-5-4-10-18-13)14-8-6-12(7-9-14)15(20)21/h6-9,13,18H,4-5,10-11H2,1-3H3,(H,20,21)/p-1