2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(4-cyclohexylcarbonyl-2-methyl-pyrazol-3-yl)amino]-3-ethoxy-3-phenyl-propanoic acid

Systemtic Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(4-cyclohexylcarbonyl-2-methyl-pyrazol-3-yl)amino]-3-ethoxy-3-phenyl-propanoic acid Openeye Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[[4-(cyclohexanecarbonyl)-2-methyl-pyrazol-3-yl]amino]-3-ethoxy-3-phenyl-propanoic acid CAS Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[[4-[cyclohexyl(oxo)methyl]-2-methyl-3-pyrazolyl]amino]-3-ethoxy-3-phenylpropanoic acid IUPAC Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[[4-(cyclohexanecarbonyl)-2-methylpyrazol-3-yl]amino]-3-ethoxy-3-phenylpropanoic acid Traditional Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[[4-(cyclohexanecarbonyl)-2-methyl-pyrazol-3-yl]amino]-3-ethoxy-3-phenyl-propionic acid Formula: C30H35N5O5 MolecularWeight: 545.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=C(C=NN2C)C(=O)C3CCCCC3)N(C)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=C(C=NN2C)C(=O)C3CCCCC3)N(C)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C30H35N5O5/c1-4-39-26(21-15-9-6-10-16-21)30(28(37)38,34(2)29-32-23-17-11-12-18-24(23)40-29)33-27-22(19-31-35(27)3)25(36)20-13-7-5-8-14-20/h6,9-12,15-20,26,33H,4-5,7-8,13-14H2,1-3H3,(H,37,38)