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4-[3-methylbutyl-[4-(phenylmethoxycarbonylamino)phenyl]amino]piperidine-1-carboxylic acid

4-[3-methylbutyl-[4-(phenylmethoxycarbonylamino)phenyl]amino]piperidine-1-carboxylic acid

Systemtic Name:4-[3-methylbutyl-[4-(phenylmethoxycarbonylamino)phenyl]amino]piperidine-1-carboxylic acid
Openeye Name:4-[4-(benzyloxycarbonylamino)-N-isopentyl-anilino]piperidine-1-carboxylic acid
CAS Name:4-[N-(3-methylbutyl)-4-(phenylmethoxycarbonylamino)anilino]-1-piperidinecarboxylic acid
IUPAC Name:4-[N-(3-methylbutyl)-4-(phenylmethoxycarbonylamino)anilino]piperidine-1-carboxylic acid
Traditional Name:4-[4-(benzyloxycarbonylamino)-N-isoamyl-anilino]piperidine-1-carboxylic acid
Formula: C25H33N3O4
MolecularWeight: 439.54722
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(=O)O)C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3


Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(=O)O)C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3


InChI

InChI=1S/C25H33N3O4/c1-19(2)12-17-28(23-13-15-27(16-14-23)25(30)31)22-10-8-21(9-11-22)26-24(29)32-18-20-6-4-3-5-7-20/h3-11,19,23H,12-18H2,1-2H3,(H,26,29)(H,30,31)


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