1-[1-[cyclohexyl-[(2-methoxy-5-methoxycarbonyl-phenyl)methyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[1-[cyclohexyl-[(2-methoxy-5-methoxycarbonyl-phenyl)methyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-[cyclohexyl-[(2-methoxy-5-methoxycarbonyl-phenyl)methyl]amino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[1-[cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]amino]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[1-[cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-[(5-carbomethoxy-2-methoxy-benzyl)-cyclohexyl-amino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=C(C=CC(=C1)C(=O)OC)OC)C2CCCCC2)N3C=CC(=N3)C(=O)O

Isomeric SMILES

CC(C(=O)N(CC1=C(C=CC(=C1)C(=O)OC)OC)C2CCCCC2)N3C=CC(=N3)C(=O)O

InChI

InChI=1S/C23H29N3O6/c1-15(26-12-11-19(24-26)22(28)29)21(27)25(18-7-5-4-6-8-18)14-17-13-16(23(30)32-3)9-10-20(17)31-2/h9-13,15,18H,4-8,14H2,1-3H3,(H,28,29)