3-[5-[cyclohexyl-[(2-methoxy-5-methoxycarbonyl-phenyl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[cyclohexyl-[(2-methoxy-5-methoxycarbonyl-phenyl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[cyclohexyl-[(2-methoxy-5-methoxycarbonyl-phenyl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[(5-carbomethoxy-2-methoxy-benzyl)-cyclohexyl-carbamoyl]pyrazol-1-yl]propionic acid Formula: C23H29N3O6 MolecularWeight: 443.49286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)CN(C2CCCCC2)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)CN(C2CCCCC2)C(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C23H29N3O6/c1-31-20-9-8-16(23(30)32-2)14-17(20)15-25(18-6-4-3-5-7-18)22(29)19-10-12-24-26(19)13-11-21(27)28/h8-10,12,14,18H,3-7,11,13,15H2,1-2H3,(H,27,28)