methyl 5-chloranyl-3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[3-(3,5-dimethyl-1-piperidyl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[3-(3,5-dimethyl-1-piperidinyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[3-(3,5-dimethylpiperidino)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC)C

InChI

InChI=1S/C20H26ClN3O3/c1-12-8-13(2)11-24(10-12)7-6-17(25)23-18-15-9-14(21)4-5-16(15)22-19(18)20(26)27-3/h4-5,9,12-13,22H,6-8,10-11H2,1-3H3,(H,23,25)