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

Systemtic Name: 5-chloranyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylate Openeye Name: 5-chloro-3-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1H-indole-2-carboxylate IUPAC Name: 5-chloro-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]-1H-indole-2-carboxylate Formula: C18H20ClN2O3- MolecularWeight: 347.816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)[O-])C

InChI

InChI=1S/C18H21ClN2O3/c1-10-5-11(2)9-21(8-10)16(22)7-14-13-6-12(19)3-4-15(13)20-17(14)18(23)24/h3-4,6,10-11,20H,5,7-9H2,1-2H3,(H,23,24)/p-1