methyl 4-[(2R)-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanyl-propoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[(2R)-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanyl-propoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[(2R)-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-hydroxy-propoxy]-3-methoxy-benzoate CAS Name: 4-[(2R)-3-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-2-hydroxypropoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-hydroxypropoxy]-3-methoxybenzoate Traditional Name: 4-[(2R)-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-hydroxy-propoxy]-3-methoxy-benzoic acid methyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNCC(COC2=C(C=C(C=C2)C(=O)OC)OC)O)C

Isomeric SMILES

CC1=CC(=NN1CCCNC[C@H](COC2=C(C=C(C=C2)C(=O)OC)OC)O)C

InChI

InChI=1S/C20H29N3O5/c1-14-10-15(2)23(22-14)9-5-8-21-12-17(24)13-28-18-7-6-16(20(25)27-4)11-19(18)26-3/h6-7,10-11,17,21,24H,5,8-9,12-13H2,1-4H3/t17-/m1/s1