[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1H-indole-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1H-indole-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-chloro-1H-indole-2-carboxylate CAS Name: 3-chloro-1H-indole-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate Traditional Name: 3-chloro-1H-indole-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C3=CC=CC=C3N2)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C3=CC=CC=C3N2)Cl

InChI

InChI=1S/C18H18ClN3O3/c19-15-12-6-2-3-7-13(12)21-16(15)17(24)25-10-14(23)22-18(11-20)8-4-1-5-9-18/h2-3,6-7,21H,1,4-5,8-10H2,(H,22,23)