3-phenyl-2-[(4-propan-2-yloxyphenyl)carbonylamino]-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid

Systemtic Name: 3-phenyl-2-[(4-propan-2-yloxyphenyl)carbonylamino]-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Openeye Name: 2-[(4-isopropoxybenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid CAS Name: 2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-3-phenyl-2-[4-(1-pyrrolidinyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-phenyl-2-[(4-propan-2-yloxybenzoyl)amino]-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Traditional Name: 2-[(4-isopropoxybenzoyl)amino]-3-phenyl-2-(4-pyrrolidinopyrimidin-5-yl)propionic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)(C3=CN=CN=C3N4CCCC4)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)(C3=CN=CN=C3N4CCCC4)C(=O)O

InChI

InChI=1S/C27H30N4O4/c1-19(2)35-22-12-10-21(11-13-22)25(32)30-27(26(33)34,16-20-8-4-3-5-9-20)23-17-28-18-29-24(23)31-14-6-7-15-31/h3-5,8-13,17-19H,6-7,14-16H2,1-2H3,(H,30,32)(H,33,34)