4-[3-methylbut-2-enyl-[4-(phenylmethoxycarbonylamino)phenyl]amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[3-methylbut-2-enyl-[4-(phenylmethoxycarbonylamino)phenyl]amino]piperidine-1-carboxylic acid Openeye Name: 4-[4-(benzyloxycarbonylamino)-N-(3-methylbut-2-enyl)anilino]piperidine-1-carboxylic acid CAS Name: 4-[N-(3-methylbut-2-enyl)-4-(phenylmethoxycarbonylamino)anilino]-1-piperidinecarboxylic acid IUPAC Name: 4-[N-(3-methylbut-2-enyl)-4-(phenylmethoxycarbonylamino)anilino]piperidine-1-carboxylic acid Traditional Name: 4-[4-(benzyloxycarbonylamino)-N-(3-methylbut-2-enyl)anilino]piperidine-1-carboxylic acid Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/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/h3-12,23H,13-18H2,1-2H3,(H,26,29)(H,30,31)