dimethyl 3-[4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[3-(3-methyl-1-indolyl)-1-oxopropyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[3-(3-methylindol-1-yl)propanoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)CCC(=O)NC3=CN(N=C3)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)CCC(=O)NC3=CN(N=C3)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C22H26N4O5/c1-15-13-25(19-7-5-4-6-18(15)19)9-8-20(27)24-16-12-23-26(14-16)17(10-21(28)30-2)11-22(29)31-3/h4-7,12-14,17H,8-11H2,1-3H3,(H,24,27)