[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 4-[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate CAS Name: 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate Traditional Name: 4-[4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3)C)CCC(=O)OC

InChI

InChI=1S/C26H35N3O5/c1-18-23(15-16-25(31)33-3)19(2)29(28-18)22-13-11-20(12-14-22)26(32)34-17-24(30)27-21-9-7-5-4-6-8-10-21/h11-14,21H,4-10,15-17H2,1-3H3,(H,27,30)