2-[(4-methoxy-3,5-dimethyl-phenyl)carbonylamino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid

Systemtic Name: 2-[(4-methoxy-3,5-dimethyl-phenyl)carbonylamino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Openeye Name: 2-[(4-methoxy-3,5-dimethyl-benzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid CAS Name: 2-[[(4-methoxy-3,5-dimethylphenyl)-oxomethyl]amino]-3-phenyl-2-[4-(1-pyrrolidinyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-3-phenyl-2-(4-pyrrolidin-1-ylpyrimidin-5-yl)propanoic acid Traditional Name: 2-[(4-methoxy-3,5-dimethyl-benzoyl)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:

CC1=CC(=CC(=C1OC)C)C(=O)NC(CC2=CC=CC=C2)(C3=CN=CN=C3N4CCCC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)NC(CC2=CC=CC=C2)(C3=CN=CN=C3N4CCCC4)C(=O)O

InChI

InChI=1S/C27H30N4O4/c1-18-13-21(14-19(2)23(18)35-3)25(32)30-27(26(33)34,15-20-9-5-4-6-10-20)22-16-28-17-29-24(22)31-11-7-8-12-31/h4-6,9-10,13-14,16-17H,7-8,11-12,15H2,1-3H3,(H,30,32)(H,33,34)