2-[1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]-4-pyridin-2-yl-benzoic acid

Systemtic Name: 2-[1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]-4-pyridin-2-yl-benzoic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl]-4-(2-pyridyl)benzoic acid CAS Name: 2-[1-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]-4-(2-pyridinyl)benzoic acid IUPAC Name: 2-[1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]-4-pyridin-2-ylbenzoic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl]-4-(2-pyridyl)benzoic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C#N)C2=C(C=CC(=C2)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C#N)C2=C(C=CC(=C2)C3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C27H27N3O4/c1-27(2,3)34-26(33)30-24(15-18-9-5-4-6-10-18)22(17-28)21-16-19(12-13-20(21)25(31)32)23-11-7-8-14-29-23/h4-14,16,22,24H,15H2,1-3H3,(H,30,33)(H,31,32)