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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)CN(C2CCCCC2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)CN(C2CCCCC2)C(=O)CCN3C(=CC=N3)C(=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)21(27)11-13-26-19(22(28)29)10-12-24-26/h8-10,12,14,18H,3-7,11,13,15H2,1-2H3,(H,28,29)